data_XVY
#

_chem_comp.id                                   XVY
_chem_comp.name                                 "diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C35 H53 N2 O12 P S"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2021-01-15
_chem_comp.pdbx_modified_date                   2022-01-21
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       756.840
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    XVY
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       7LEG
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
XVY  C13   C1   C  0  1  N  N  R  20.368  -0.570  15.210   1.092   0.034  -1.878  C13   XVY    1  
XVY  C15   C2   C  0  1  N  N  S  19.953  -0.197  16.616  -0.333   0.167  -1.337  C15   XVY    2  
XVY  C17   C3   C  0  1  N  N  N  22.003   0.315  18.110  -0.013   2.467  -0.600  C17   XVY    3  
XVY  C20   C4   C  0  1  N  N  R  23.709   1.297  19.684   0.351   4.759  -0.040  C20   XVY    4  
XVY  C21   C5   C  0  1  N  N  N  25.131   1.775  19.234  -0.887   5.604  -0.410  C21   XVY    5  
XVY  C24   C6   C  0  1  N  N  R  24.050   3.507  20.182  -0.001   6.687   1.422  C24   XVY    6  
XVY  C26   C7   C  0  1  N  N  N  21.780   3.709  19.751   0.588   5.749   3.499  C26   XVY    7  
XVY  C28   C8   C  0  1  N  N  N  18.632   0.590  16.614  -1.277   0.556  -2.477  C28   XVY    8  
XVY  C01   C9   C  0  1  Y  N  N  15.380  -5.956  13.541   5.600  -3.970   1.918  C01   XVY    9  
XVY  C02   C10  C  0  1  Y  N  N  15.179  -4.455  13.758   4.304  -4.166   1.478  C02   XVY   10  
XVY  C03   C11  C  0  1  Y  N  N  16.190  -3.694  14.657   3.846  -3.498   0.358  C03   XVY   11  
XVY  C04   C12  C  0  1  Y  N  N  17.360  -4.462  15.297   4.683  -2.634  -0.322  C04   XVY   12  
XVY  C05   C13  C  0  1  Y  N  N  17.586  -5.967  15.067   5.979  -2.439   0.117  C05   XVY   13  
XVY  C06   C14  C  0  1  Y  N  N  16.579  -6.727  14.171   6.438  -3.107   1.237  C06   XVY   14  
XVY  C11   C15  C  0  1  N  N  N  20.350  -3.952  14.365   4.193   0.876  -1.261  C11   XVY   15  
XVY  C12   C16  C  0  1  N  N  N  19.380  -1.600  14.622   2.036  -0.355  -0.739  C12   XVY   16  
XVY  C23   C17  C  0  1  N  N  S  23.343   2.186  20.600   0.976   5.509   1.152  C23   XVY   17  
XVY  C25   C18  C  0  1  N  N  N  21.999   2.380  20.539   0.816   4.649   2.431  C25   XVY   18  
XVY  C29   C19  C  0  1  Y  N  N  18.424   1.012  18.105  -2.696   0.568  -1.972  C29   XVY   19  
XVY  C30   C20  C  0  1  Y  N  N  18.552   2.496  18.508  -3.231   1.727  -1.442  C30   XVY   20  
XVY  C31   C21  C  0  1  Y  N  N  18.343   2.908  19.986  -4.532   1.740  -0.978  C31   XVY   21  
XVY  C32   C22  C  0  1  Y  N  N  18.016   1.829  21.011  -5.303   0.589  -1.044  C32   XVY   22  
XVY  C33   C23  C  0  1  Y  N  N  17.906   0.322  20.635  -4.764  -0.574  -1.576  C33   XVY   23  
XVY  C34   C24  C  0  1  Y  N  N  18.114  -0.078  19.165  -3.464  -0.580  -2.044  C34   XVY   24  
XVY  C36   C25  C  0  1  N  N  N  23.975  -3.813  16.029   6.808   2.215  -1.326  C36   XVY   25  
XVY  C37   C26  C  0  1  N  N  N  21.948  -3.808  14.459   5.092   0.947  -0.026  C37   XVY   26  
XVY  C38   C27  C  0  1  N  N  N  22.440  -4.059  15.965   5.927   2.228  -0.075  C38   XVY   27  
XVY  C39   C28  C  0  1  N  N  N  22.580  -4.830  13.479   4.227   0.950   1.236  C39   XVY   28  
XVY  C40   C29  C  0  1  N  N  N  22.515  -6.290  14.086   3.821  -0.484   1.580  C40   XVY   29  
XVY  C41   C30  C  0  1  N  N  N  14.403  -6.731  12.637   6.098  -4.694   3.142  C41   XVY   30  
XVY  C42   C31  C  0  1  N  N  N  19.093   2.182  23.013  -7.317  -0.623  -0.687  C42   XVY   31  
XVY  C46   C32  C  0  1  N  N  N  16.744   4.274  24.874  -7.422  -4.234   1.416  C46   XVY   32  
XVY  C47   C33  C  0  1  N  N  N  18.142   0.665  26.660  -4.402  -2.872   1.292  C47   XVY   33  
XVY  C48   C34  C  0  1  N  N  N  16.876   4.638  23.397  -8.349  -5.385   1.018  C48   XVY   34  
XVY  C49   C35  C  0  1  N  N  N  19.153   0.156  27.644  -2.957  -2.954   0.797  C49   XVY   35  
XVY  N10   N1   N  0  1  N  N  N  19.707  -2.939  15.234   3.416  -0.366  -1.230  N10   XVY   36  
XVY  N16   N2   N  0  1  N  N  N  20.976   0.702  17.129  -0.367   1.202  -0.301  N16   XVY   37  
XVY  O08   O1   O  0  1  N  N  N  19.074  -4.253  17.467   5.250  -1.421  -2.501  O08   XVY   38  
XVY  O09   O2   O  0  1  N  N  N  17.764  -2.401  16.977   3.039  -2.567  -2.280  O09   XVY   39  
XVY  O14   O3   O  0  1  N  N  N  20.342   0.549  14.367   1.125  -0.975  -2.889  O14   XVY   40  
XVY  O18   O4   O  0  1  N  N  N  22.061  -0.745  18.611   0.335   2.750  -1.729  O18   XVY   41  
XVY  O19   O5   O  0  1  N  N  N  22.946   1.378  18.433  -0.044   3.418   0.353  O19   XVY   42  
XVY  O22   O6   O  0  1  N  N  N  24.912   3.113  19.039  -1.245   6.285   0.810  O22   XVY   43  
XVY  O27   O7   O  0  1  N  N  N  22.960   4.448  19.793  -0.181   6.767   2.842  O27   XVY   44  
XVY  O35   O8   O  0  1  N  N  N  17.837   2.204  22.387  -6.583   0.599  -0.588  O35   XVY   45  
XVY  O44   O9   O  0  1  N  N  N  17.113   2.913  25.078  -7.568  -3.161   0.483  O44   XVY   46  
XVY  O45   O10  O  0  1  N  N  N  18.876   0.971  25.527  -5.173  -2.081   0.385  O45   XVY   47  
XVY  O50   O11  O  0  1  N  N  N  19.638   3.415  25.413  -6.955  -1.187   1.933  O50   XVY   48  
XVY  O51   O12  O  0  1  N  N  N  15.175  -7.023  11.489   6.672  -5.944   2.756  O51   XVY   49  
XVY  P43   P1   P  0  1  N  N  N  18.689   2.433  24.865  -6.741  -1.784   0.595  P43   XVY   50  
XVY  S07   S1   S  0  1  N  N  N  18.519  -3.493  16.344   4.099  -1.782  -1.750  S07   XVY   51  
XVY  H131  H1   H  0  0  N  N  N  21.373  -1.017  15.236   1.410   0.986  -2.304  H131  XVY   52  
XVY  H151  H2   H  0  0  N  N  N  19.858  -1.096  17.242  -0.650  -0.784  -0.911  H151  XVY   53  
XVY  H201  H3   H  0  0  N  N  N  23.759   0.264  20.060   1.050   4.720  -0.876  H201  XVY   54  
XVY  H212  H4   H  0  0  N  N  N  25.448   1.279  18.305  -0.636   6.325  -1.188  H212  XVY   55  
XVY  H211  H5   H  0  0  N  N  N  25.882   1.599  20.018  -1.702   4.959  -0.740  H211  XVY   56  
XVY  H241  H6   H  0  0  N  N  N  24.645   3.906  21.017   0.370   7.624   1.008  H241  XVY   57  
XVY  H262  H7   H  0  0  N  N  N  20.965   4.285  20.214   0.044   5.359   4.359  H262  XVY   58  
XVY  H261  H8   H  0  0  N  N  N  21.521   3.482  18.706   1.554   6.146   3.810  H261  XVY   59  
XVY  H282  H9   H  0  0  N  N  N  18.708   1.476  15.966  -1.014   1.548  -2.844  H282  XVY   60  
XVY  H281  H10  H  0  0  N  N  N  17.802  -0.045  16.270  -1.185  -0.167  -3.287  H281  XVY   61  
XVY  H021  H11  H  0  0  N  N  N  14.352  -3.936  13.296   3.650  -4.841   2.010  H021  XVY   62  
XVY  H031  H12  H  0  0  N  N  N  16.073  -2.635  14.832   2.833  -3.652   0.014  H031  XVY   63  
XVY  H051  H13  H  0  0  N  N  N  18.424  -6.478  15.518   6.634  -1.764  -0.415  H051  XVY   64  
XVY  H061  H14  H  0  0  N  N  N  16.706  -7.783  13.984   7.450  -2.954   1.580  H061  XVY   65  
XVY  H112  H15  H  0  0  N  N  N  20.029  -3.798  13.324   3.514   1.729  -1.266  H112  XVY   66  
XVY  H111  H16  H  0  0  N  N  N  20.053  -4.959  14.695   4.808   0.897  -2.161  H111  XVY   67  
XVY  H122  H17  H  0  0  N  N  N  18.347  -1.315  14.871   1.945   0.369   0.072  H122  XVY   68  
XVY  H121  H18  H  0  0  N  N  N  19.494  -1.648  13.529   1.773  -1.347  -0.371  H121  XVY   69  
XVY  H231  H19  H  0  0  N  N  N  23.672   1.907  21.612   2.000   5.832   0.964  H231  XVY   70  
XVY  H252  H20  H  0  0  N  N  N  21.581   2.466  21.553   1.723   4.082   2.639  H252  XVY   71  
XVY  H251  H21  H  0  0  N  N  N  21.517   1.542  20.013  -0.049   3.990   2.356  H251  XVY   72  
XVY  H301  H22  H  0  0  N  N  N  18.786   3.243  17.764  -2.631   2.624  -1.390  H301  XVY   73  
XVY  H311  H23  H  0  0  N  N  N  18.428   3.942  20.285  -4.949   2.647  -0.564  H311  XVY   74  
XVY  H331  H24  H  0  0  N  N  N  17.689  -0.423  21.387  -5.361  -1.472  -1.628  H331  XVY   75  
XVY  H341  H25  H  0  0  N  N  N  18.045  -1.115  18.871  -3.045  -1.484  -2.462  H341  XVY   76  
XVY  H362  H26  H  0  0  N  N  N  24.331  -3.981  17.056   6.182   2.103  -2.211  H362  XVY   77  
XVY  H361  H27  H  0  0  N  N  N  24.486  -4.507  15.346   7.362   3.151  -1.389  H361  XVY   78  
XVY  H363  H28  H  0  0  N  N  N  24.193  -2.777  15.730   7.508   1.382  -1.268  H363  XVY   79  
XVY  H371  H29  H  0  0  N  N  N  22.230  -2.788  14.159   5.755   0.082  -0.009  H371  XVY   80  
XVY  H382  H30  H  0  0  N  N  N  21.924  -3.365  16.645   6.556   2.286   0.813  H382  XVY   81  
XVY  H381  H31  H  0  0  N  N  N  22.217  -5.095  16.261   5.264   3.093  -0.107  H381  XVY   82  
XVY  H392  H32  H  0  0  N  N  N  23.631  -4.558  13.300   4.793   1.376   2.064  H392  XVY   83  
XVY  H391  H33  H  0  0  N  N  N  22.029  -4.808  12.527   3.332   1.549   1.061  H391  XVY   84  
XVY  H402  H34  H  0  0  N  N  N  22.967  -7.002  13.379   4.705  -1.053   1.868  H402  XVY   85  
XVY  H403  H35  H  0  0  N  N  N  23.068  -6.317  15.037   3.111  -0.473   2.407  H403  XVY   86  
XVY  H401  H36  H  0  0  N  N  N  21.465  -6.567  14.264   3.357  -0.949   0.710  H401  XVY   87  
XVY  H412  H37  H  0  0  N  N  N  13.532  -6.111  12.378   6.853  -4.086   3.641  H412  XVY   88  
XVY  H411  H38  H  0  0  N  N  N  14.063  -7.655  13.127   5.265  -4.871   3.823  H411  XVY   89  
XVY  H422  H39  H  0  0  N  N  N  19.595   1.217  22.849  -8.378  -0.422  -0.545  H422  XVY   90  
XVY  H421  H40  H  0  0  N  N  N  19.731   2.996  22.638  -7.159  -1.063  -1.672  H421  XVY   91  
XVY  H462  H41  H  0  0  N  N  N  17.404   4.923  25.469  -7.684  -3.885   2.415  H462  XVY   92  
XVY  H461  H42  H  0  0  N  N  N  15.701   4.420  25.193  -6.389  -4.582   1.411  H461  XVY   93  
XVY  H471  H43  H  0  0  N  N  N  17.639   1.562  27.050  -4.824  -3.876   1.347  H471  XVY   94  
XVY  H472  H44  H  0  0  N  N  N  17.392  -0.109  26.439  -4.422  -2.415   2.281  H472  XVY   95  
XVY  H482  H45  H  0  0  N  N  N  16.589   5.690  23.251  -8.087  -5.733   0.019  H482  XVY   96  
XVY  H481  H46  H  0  0  N  N  N  17.918   4.495  23.076  -8.238  -6.203   1.729  H481  XVY   97  
XVY  H483  H47  H  0  0  N  N  N  16.216   3.992  22.800  -9.382  -5.037   1.022  H483  XVY   98  
XVY  H492  H48  H  0  0  N  N  N  18.648  -0.113  28.583  -2.369  -3.557   1.488  H492  XVY   99  
XVY  H491  H49  H  0  0  N  N  N  19.653  -0.732  27.230  -2.937  -3.411  -0.192  H491  XVY  100  
XVY  H493  H50  H  0  0  N  N  N  19.900   0.939  27.841  -2.535  -1.950   0.742  H493  XVY  101  
XVY  H161  H51  H  0  0  N  N  N  20.982   1.644  16.793  -0.645   0.976   0.601  H161  XVY  102  
XVY  H141  H52  H  0  0  N  N  N  20.940   1.209  14.697   0.854  -1.850  -2.581  H141  XVY  103  
XVY  H511  H53  H  0  0  N  N  N  14.646  -7.507  10.866   7.014  -6.465   3.496  H511  XVY  104  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
XVY  O51  C41   SING  N  N    1  
XVY  C41  C01   SING  N  N    2  
XVY  C39  C40   SING  N  N    3  
XVY  C39  C37   SING  N  N    4  
XVY  C01  C02   DOUB  Y  N    5  
XVY  C01  C06   SING  Y  N    6  
XVY  C02  C03   SING  Y  N    7  
XVY  C06  C05   DOUB  Y  N    8  
XVY  C11  C37   SING  N  N    9  
XVY  C11  N10   SING  N  N   10  
XVY  O14  C13   SING  N  N   11  
XVY  C37  C38   SING  N  N   12  
XVY  C12  C13   SING  N  N   13  
XVY  C12  N10   SING  N  N   14  
XVY  C03  C04   DOUB  Y  N   15  
XVY  C05  C04   SING  Y  N   16  
XVY  C13  C15   SING  N  N   17  
XVY  N10  S07   SING  N  N   18  
XVY  C04  S07   SING  N  N   19  
XVY  C38  C36   SING  N  N   20  
XVY  S07  O09   DOUB  N  N   21  
XVY  S07  O08   DOUB  N  N   22  
XVY  C28  C15   SING  N  N   23  
XVY  C28  C29   SING  N  N   24  
XVY  C15  N16   SING  N  N   25  
XVY  N16  C17   SING  N  N   26  
XVY  C29  C30   DOUB  Y  N   27  
XVY  C29  C34   SING  Y  N   28  
XVY  C17  O19   SING  N  N   29  
XVY  C17  O18   DOUB  N  N   30  
XVY  O19  C20   SING  N  N   31  
XVY  C30  C31   SING  Y  N   32  
XVY  O22  C21   SING  N  N   33  
XVY  O22  C24   SING  N  N   34  
XVY  C34  C33   DOUB  Y  N   35  
XVY  C21  C20   SING  N  N   36  
XVY  C20  C23   SING  N  N   37  
XVY  C26  O27   SING  N  N   38  
XVY  C26  C25   SING  N  N   39  
XVY  O27  C24   SING  N  N   40  
XVY  C31  C32   DOUB  Y  N   41  
XVY  C24  C23   SING  N  N   42  
XVY  C25  C23   SING  N  N   43  
XVY  C33  C32   SING  Y  N   44  
XVY  C32  O35   SING  N  N   45  
XVY  O35  C42   SING  N  N   46  
XVY  C42  P43   SING  N  N   47  
XVY  C48  C46   SING  N  N   48  
XVY  P43  O44   SING  N  N   49  
XVY  P43  O50   DOUB  N  N   50  
XVY  P43  O45   SING  N  N   51  
XVY  C46  O44   SING  N  N   52  
XVY  O45  C47   SING  N  N   53  
XVY  C47  C49   SING  N  N   54  
XVY  C13  H131  SING  N  N   55  
XVY  C15  H151  SING  N  N   56  
XVY  C20  H201  SING  N  N   57  
XVY  C21  H212  SING  N  N   58  
XVY  C21  H211  SING  N  N   59  
XVY  C24  H241  SING  N  N   60  
XVY  C26  H262  SING  N  N   61  
XVY  C26  H261  SING  N  N   62  
XVY  C28  H282  SING  N  N   63  
XVY  C28  H281  SING  N  N   64  
XVY  C02  H021  SING  N  N   65  
XVY  C03  H031  SING  N  N   66  
XVY  C05  H051  SING  N  N   67  
XVY  C06  H061  SING  N  N   68  
XVY  C11  H112  SING  N  N   69  
XVY  C11  H111  SING  N  N   70  
XVY  C12  H122  SING  N  N   71  
XVY  C12  H121  SING  N  N   72  
XVY  C23  H231  SING  N  N   73  
XVY  C25  H252  SING  N  N   74  
XVY  C25  H251  SING  N  N   75  
XVY  C30  H301  SING  N  N   76  
XVY  C31  H311  SING  N  N   77  
XVY  C33  H331  SING  N  N   78  
XVY  C34  H341  SING  N  N   79  
XVY  C36  H362  SING  N  N   80  
XVY  C36  H361  SING  N  N   81  
XVY  C36  H363  SING  N  N   82  
XVY  C37  H371  SING  N  N   83  
XVY  C38  H382  SING  N  N   84  
XVY  C38  H381  SING  N  N   85  
XVY  C39  H392  SING  N  N   86  
XVY  C39  H391  SING  N  N   87  
XVY  C40  H402  SING  N  N   88  
XVY  C40  H403  SING  N  N   89  
XVY  C40  H401  SING  N  N   90  
XVY  C41  H412  SING  N  N   91  
XVY  C41  H411  SING  N  N   92  
XVY  C42  H422  SING  N  N   93  
XVY  C42  H421  SING  N  N   94  
XVY  C46  H462  SING  N  N   95  
XVY  C46  H461  SING  N  N   96  
XVY  C47  H471  SING  N  N   97  
XVY  C47  H472  SING  N  N   98  
XVY  C48  H482  SING  N  N   99  
XVY  C48  H481  SING  N  N  100  
XVY  C48  H483  SING  N  N  101  
XVY  C49  H492  SING  N  N  102  
XVY  C49  H491  SING  N  N  103  
XVY  C49  H493  SING  N  N  104  
XVY  N16  H161  SING  N  N  105  
XVY  O14  H141  SING  N  N  106  
XVY  O51  H511  SING  N  N  107  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
XVY  SMILES            ACDLabs               12.01  "C(C(NC(OC1C2C(OC1)OCC2)=O)Cc3ccc(OCP(OCC)(OCC)=O)cc3)(CN(CC(CC)CC)S(c4ccc(cc4)CO)(=O)=O)O"  
XVY  InChI             InChI                 1.03   "InChI=1S/C35H53N2O12PS/c1-5-25(6-2)20-37(51(42,43)29-15-11-27(22-38)12-16-29)21-32(39)31(36-35(40)49-33-23-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-24-50(41,47-7-3)48-8-4/h9-16,25,30-34,38-39H,5-8,17-24H2,1-4H3,(H,36,40)/t30-,31-,32+,33-,34+/m0/s1"  
XVY  InChIKey          InChI                 1.03   NXZQIAAJZJMQCO-GYLADCCPSA-N  
XVY  SMILES_CANONICAL  CACTVS                3.385  "CCO[P](=O)(COc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[C@H](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc(CO)cc4)cc1)OCC"  
XVY  SMILES            CACTVS                3.385  "CCO[P](=O)(COc1ccc(C[CH](NC(=O)O[CH]2CO[CH]3OCC[CH]23)[CH](O)CN(CC(CC)CC)[S](=O)(=O)c4ccc(CO)cc4)cc1)OCC"  
XVY  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CCC(CC)CN(C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO"  
XVY  SMILES            "OpenEye OEToolkits"  2.0.7  "CCC(CC)CN(CC(C(Cc1ccc(cc1)OCP(=O)(OCC)OCC)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO"  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
XVY  "SYSTEMATIC NAME"  ACDLabs               12.01  "diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate"  
XVY  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-[4-(diethoxyphosphorylmethoxy)phenyl]-4-[2-ethylbutyl-[4-(hydroxymethyl)phenyl]sulfonyl-amino]-3-oxidanyl-butan-2-yl]carbamate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
XVY  "Create component"  2021-01-15  RCSB  
XVY  "Initial release"   2022-01-26  RCSB  
##
