data_O7Y
#

_chem_comp.id                                   O7Y
_chem_comp.name                                 "(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C38 H43 N5 O9"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2019-06-17
_chem_comp.pdbx_modified_date                   2020-06-12
_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                       713.776
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    O7Y
_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       6PC8
_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
O7Y  C13  C1   C  0  1  N  N  N  254.027  260.689  248.527   0.547  -4.932   1.542  C13  O7Y   1  
O7Y  C15  C2   C  0  1  N  N  N  253.073  259.712  248.039   1.214  -4.339   2.716  C15  O7Y   2  
O7Y  C17  C3   C  0  1  N  N  N  251.295  258.863  246.475   1.390  -2.570   4.437  C17  O7Y   3  
O7Y  C20  C4   C  0  1  N  N  N  252.179  256.322  243.877  -0.240   0.814   4.154  C20  O7Y   4  
O7Y  C21  C5   C  0  1  N  N  N  252.906  257.010  242.977  -0.074   1.892   3.397  C21  O7Y   5  
O7Y  C22  C6   C  0  1  N  N  R  253.508  256.409  241.726  -1.161   2.929   3.272  C22  O7Y   6  
O7Y  C24  C7   C  0  1  N  N  S  254.942  255.890  242.000  -1.395   3.218   1.790  C24  O7Y   7  
O7Y  C26  C8   C  0  1  N  N  N  254.856  254.101  240.166  -1.375   0.746   1.430  C26  O7Y   8  
O7Y  O01  O1   O  0  1  N  N  N  255.455  261.560  251.400  -1.461  -6.331   0.069  O01  O7Y   9  
O7Y  C02  C9   C  0  1  N  N  S  255.952  261.131  250.163  -1.201  -4.952  -0.198  C02  O7Y  10  
O7Y  C03  C10  C  0  1  N  N  N  257.208  260.303  250.442  -2.523  -4.241  -0.493  C03  O7Y  11  
O7Y  C04  C11  C  0  1  N  N  N  258.523  260.987  250.126  -2.454  -3.551  -1.827  C04  O7Y  12  
O7Y  C05  C12  C  0  1  N  N  N  259.728  260.083  249.921  -3.642  -3.548  -2.763  C05  O7Y  13  
O7Y  C06  C13  C  0  1  Y  N  N  259.691  259.260  248.649  -4.273  -2.169  -2.765  C06  O7Y  14  
O7Y  N07  N1   N  0  1  Y  N  N  258.706  259.102  247.799  -4.497  -1.467  -1.700  N07  O7Y  15  
O7Y  C08  C14  C  0  1  Y  N  N  259.219  258.464  246.761  -5.012  -0.255  -2.082  C08  O7Y  16  
O7Y  C09  C15  C  0  1  Y  N  N  260.524  258.117  247.072  -5.180  -0.310  -3.423  C09  O7Y  17  
O7Y  O10  O2   O  0  1  Y  N  N  260.834  258.643  248.277  -4.730  -1.511  -3.842  O10  O7Y  18  
O7Y  O11  O3   O  0  1  N  N  N  258.625  262.206  250.008  -1.436  -2.992  -2.155  O11  O7Y  19  
O7Y  C12  C16  C  0  1  N  N  N  254.859  260.313  249.517  -0.504  -4.340   0.993  C12  O7Y  20  
O7Y  C14  C17  C  0  1  N  N  N  253.979  262.121  248.035   1.081  -6.222   0.970  C14  O7Y  21  
O7Y  C16  C18  C  0  1  N  N  N  252.346  259.845  246.917   0.754  -3.207   3.227  C16  O7Y  22  
O7Y  N18  N2   N  0  1  N  N  N  251.684  258.158  245.268   0.570  -1.393   4.808  N18  O7Y  23  
O7Y  C19  C19  C  0  1  N  N  N  251.759  256.829  245.154   0.775  -0.252   4.101  C19  O7Y  24  
O7Y  C23  C20  C  0  1  N  N  N  253.414  257.395  240.554  -0.730   4.213   3.984  C23  O7Y  25  
O7Y  C25  C21  C  0  1  N  N  R  255.688  255.202  240.839  -0.803   2.082   0.953  C25  O7Y  26  
O7Y  C27  C22  C  0  1  N  N  N  257.011  254.640  241.370   0.719   2.071   1.112  C27  O7Y  27  
O7Y  O28  O4   O  0  1  N  N  N  257.806  254.060  240.338   1.335   1.714  -0.153  O28  O7Y  28  
O7Y  C29  C23  C  0  1  N  N  N  258.801  253.156  240.557   2.680   1.659  -0.184  C29  O7Y  29  
O7Y  N30  N3   N  0  1  N  N  N  258.941  252.813  241.899   3.315   1.333  -1.327  N30  O7Y  30  
O7Y  C31  C24  C  0  1  Y  N  N  259.768  251.867  242.486   4.698   1.145  -1.328  C31  O7Y  31  
O7Y  C32  C25  C  0  1  Y  N  N  261.001  251.488  241.946   5.350   0.948  -2.527  C32  O7Y  32  
O7Y  C33  C26  C  0  1  Y  N  N  261.791  250.542  242.643   6.742   0.760  -2.511  C33  O7Y  33  
O7Y  C34  C27  C  0  1  Y  N  N  263.057  250.128  242.174   7.481   0.554  -3.685  C34  O7Y  34  
O7Y  C35  C28  C  0  1  Y  N  N  263.808  249.209  242.902   8.830   0.378  -3.607  C35  O7Y  35  
O7Y  C36  C29  C  0  1  Y  N  N  263.325  248.683  244.094   9.487   0.401  -2.378  C36  O7Y  36  
O7Y  C37  C30  C  0  1  Y  N  N  262.079  249.065  244.584   8.802   0.599  -1.218  C37  O7Y  37  
O7Y  C38  C31  C  0  1  Y  N  N  261.296  249.999  243.865   7.411   0.784  -1.258  C38  O7Y  38  
O7Y  C39  C32  C  0  1  Y  N  N  260.030  250.449  244.298   6.655   0.993  -0.093  C39  O7Y  39  
O7Y  N40  N4   N  0  1  Y  N  N  259.282  251.363  243.642   5.357   1.167  -0.172  N40  O7Y  40  
O7Y  O41  O5   O  0  1  N  N  N  259.456  252.704  239.621   3.321   1.902   0.819  O41  O7Y  41  
O7Y  O42  O6   O  0  1  N  N  N  255.739  256.982  242.435  -2.820   3.328   1.513  O42  O7Y  42  
O7Y  C43  C33  C  0  1  N  N  N  256.103  257.126  243.717  -3.220   2.867   0.316  C43  O7Y  43  
O7Y  C44  C34  C  0  1  N  N  R  256.675  258.502  243.928  -4.629   3.041  -0.177  C44  O7Y  44  
O7Y  C45  C35  C  0  1  N  N  N  255.540  259.538  243.942  -4.809   4.471  -0.723  C45  O7Y  45  
O7Y  C46  C36  C  0  1  N  N  N  256.119  260.714  244.669  -4.657   4.332  -2.249  C46  O7Y  46  
O7Y  C47  C37  C  0  1  N  N  N  256.928  260.039  245.755  -4.684   2.828  -2.549  C47  O7Y  47  
O7Y  N48  N5   N  0  1  N  N  N  257.437  258.803  245.156  -4.872   2.114  -1.281  N48  O7Y  48  
O7Y  C49  C38  C  0  1  N  N  N  258.546  258.108  245.531  -5.228   0.834  -1.137  C49  O7Y  49  
O7Y  O50  O7   O  0  1  N  N  N  259.015  257.205  244.835  -5.797   0.545  -0.102  O50  O7Y  50  
O7Y  O51  O8   O  0  1  N  N  N  255.928  256.302  244.613  -2.421   2.295  -0.387  O51  O7Y  51  
O7Y  O52  O9   O  0  1  N  N  N  251.507  256.071  246.084   1.783  -0.112   3.434  O52  O7Y  52  
O7Y  H1   H1   H  0  1  N  N  N  252.937  258.812  248.620   2.073  -4.823   3.155  H1   O7Y  53  
O7Y  H2   H2   H  0  1  N  N  N  250.359  259.407  246.282   1.410  -3.282   5.263  H2   O7Y  54  
O7Y  H3   H3   H  0  1  N  N  N  251.134  258.129  247.279   2.405  -2.254   4.198  H3   O7Y  55  
O7Y  H4   H4   H  0  1  N  N  N  251.890  255.314  243.620  -1.109   0.698   4.779  H4   O7Y  56  
O7Y  H5   H5   H  0  1  N  N  N  253.071  258.062  243.160   0.830   1.994   2.816  H5   O7Y  57  
O7Y  H6   H6   H  0  1  N  N  N  252.898  255.533  241.459  -2.080   2.551   3.720  H6   O7Y  58  
O7Y  H7   H7   H  0  1  N  N  N  254.870  255.158  242.818  -0.902   4.153   1.523  H7   O7Y  59  
O7Y  H8   H8   H  0  1  N  N  N  253.913  254.529  239.794  -1.361   0.712   2.519  H8   O7Y  60  
O7Y  H9   H9   H  0  1  N  N  N  255.423  253.676  239.325  -2.401   0.644   1.077  H9   O7Y  61  
O7Y  H10  H10  H  0  1  N  N  N  254.636  253.309  240.897  -0.771  -0.070   1.033  H10  O7Y  62  
O7Y  H11  H11  H  0  1  N  N  N  256.114  262.081  251.843  -1.948  -6.783  -0.633  H11  O7Y  63  
O7Y  H12  H12  H  0  1  N  N  N  256.210  261.983  249.517  -0.552  -4.874  -1.070  H12  O7Y  64  
O7Y  H13  H13  H  0  1  N  N  N  257.150  259.385  249.839  -3.332  -4.972  -0.506  H13  O7Y  65  
O7Y  H14  H14  H  0  1  N  N  N  257.211  260.040  251.510  -2.717  -3.501   0.284  H14  O7Y  66  
O7Y  H15  H15  H  0  1  N  N  N  259.788  259.392  250.775  -3.312  -3.799  -3.771  H15  O7Y  67  
O7Y  H16  H16  H  0  1  N  N  N  260.629  260.713  249.896  -4.374  -4.283  -2.426  H16  O7Y  68  
O7Y  H17  H17  H  0  1  N  N  N  261.183  257.525  246.454  -5.599   0.467  -4.046  H17  O7Y  69  
O7Y  H18  H18  H  0  1  N  N  N  254.729  259.309  249.893  -0.846  -3.396   1.394  H18  O7Y  70  
O7Y  H19  H19  H  0  1  N  N  N  254.778  262.702  248.518   0.839  -6.276  -0.092  H19  O7Y  71  
O7Y  H20  H20  H  0  1  N  N  N  254.121  262.139  246.944   2.163  -6.256   1.098  H20  O7Y  72  
O7Y  H21  H21  H  0  1  N  N  N  253.003  262.562  248.285   0.627  -7.066   1.489  H21  O7Y  73  
O7Y  H22  H22  H  0  1  N  N  N  252.527  260.709  246.295  -0.099  -2.728   2.770  H22  O7Y  74  
O7Y  H23  H23  H  0  1  N  N  N  251.912  258.706  244.464  -0.085  -1.436   5.523  H23  O7Y  75  
O7Y  H24  H24  H  0  1  N  N  N  252.369  257.714  240.426  -1.512   4.966   3.880  H24  O7Y  76  
O7Y  H25  H25  H  0  1  N  N  N  254.043  258.273  240.763  -0.564   4.004   5.041  H25  O7Y  77  
O7Y  H26  H26  H  0  1  N  N  N  253.763  256.904  239.633   0.193   4.583   3.537  H26  O7Y  78  
O7Y  H27  H27  H  0  1  N  N  N  255.919  255.966  240.083  -1.057   2.233  -0.096  H27  O7Y  79  
O7Y  H28  H28  H  0  1  N  N  N  256.791  253.869  242.123   1.060   3.061   1.416  H28  O7Y  80  
O7Y  H29  H29  H  0  1  N  N  N  257.580  255.457  241.838   0.999   1.342   1.872  H29  O7Y  81  
O7Y  H30  H30  H  0  1  N  N  N  258.360  253.324  242.533   2.811   1.230  -2.149  H30  O7Y  82  
O7Y  H31  H31  H  0  1  N  N  N  261.345  251.910  241.013   4.802   0.937  -3.457  H31  O7Y  83  
O7Y  H32  H32  H  0  1  N  N  N  263.444  250.526  241.247   6.984   0.533  -4.644  H32  O7Y  84  
O7Y  H33  H33  H  0  1  N  N  N  264.777  248.902  242.536   9.399   0.219  -4.511  H33  O7Y  85  
O7Y  H34  H34  H  0  1  N  N  N  263.922  247.971  244.645  10.557   0.259  -2.345  H34  O7Y  86  
O7Y  H35  H35  H  0  1  N  N  N  261.711  248.650  245.510   9.325   0.613  -0.273  H35  O7Y  87  
O7Y  H36  H36  H  0  1  N  N  N  259.633  250.036  245.214   7.144   1.014   0.870  H36  O7Y  88  
O7Y  H37  H37  H  0  1  N  N  N  257.317  258.732  243.065  -5.339   2.864   0.638  H37  O7Y  89  
O7Y  H38  H38  H  0  1  N  N  N  255.254  259.816  242.917  -5.800   4.852  -0.474  H38  O7Y  90  
O7Y  H39  H39  H  0  1  N  N  N  254.661  259.145  244.474  -4.038   5.130  -0.324  H39  O7Y  91  
O7Y  H40  H40  H  0  1  N  N  N  256.759  261.317  244.009  -5.484   4.829  -2.755  H40  O7Y  92  
O7Y  H41  H41  H  0  1  N  N  N  255.329  261.350  245.095  -3.709   4.761  -2.572  H41  O7Y  93  
O7Y  H42  H42  H  0  1  N  N  N  257.761  260.684  246.071  -5.508   2.602  -3.226  H42  O7Y  94  
O7Y  H43  H43  H  0  1  N  N  N  256.292  259.811  246.623  -3.740   2.526  -3.004  H43  O7Y  95  
#   #
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
O7Y  O41  C29  DOUB  N  N   1  
O7Y  C26  C25  SING  N  N   2  
O7Y  O28  C29  SING  N  N   3  
O7Y  O28  C27  SING  N  N   4  
O7Y  C23  C22  SING  N  N   5  
O7Y  C29  N30  SING  N  N   6  
O7Y  C25  C27  SING  N  N   7  
O7Y  C25  C24  SING  N  N   8  
O7Y  C22  C24  SING  N  N   9  
O7Y  C22  C21  SING  N  N  10  
O7Y  N30  C31  SING  N  N  11  
O7Y  C32  C31  DOUB  Y  N  12  
O7Y  C32  C33  SING  Y  N  13  
O7Y  C24  O42  SING  N  N  14  
O7Y  C34  C33  DOUB  Y  N  15  
O7Y  C34  C35  SING  Y  N  16  
O7Y  O42  C43  SING  N  N  17  
O7Y  C31  N40  SING  Y  N  18  
O7Y  C33  C38  SING  Y  N  19  
O7Y  C35  C36  DOUB  Y  N  20  
O7Y  C21  C20  DOUB  N  E  21  
O7Y  N40  C39  DOUB  Y  N  22  
O7Y  C43  C44  SING  N  N  23  
O7Y  C43  O51  DOUB  N  N  24  
O7Y  C38  C39  SING  Y  N  25  
O7Y  C38  C37  DOUB  Y  N  26  
O7Y  C20  C19  SING  N  N  27  
O7Y  C44  C45  SING  N  N  28  
O7Y  C44  N48  SING  N  N  29  
O7Y  C45  C46  SING  N  N  30  
O7Y  C36  C37  SING  Y  N  31  
O7Y  C46  C47  SING  N  N  32  
O7Y  O50  C49  DOUB  N  N  33  
O7Y  C19  N18  SING  N  N  34  
O7Y  C19  O52  DOUB  N  N  35  
O7Y  N48  C49  SING  N  N  36  
O7Y  N48  C47  SING  N  N  37  
O7Y  N18  C17  SING  N  N  38  
O7Y  C49  C08  SING  N  N  39  
O7Y  C17  C16  SING  N  N  40  
O7Y  C08  C09  DOUB  Y  N  41  
O7Y  C08  N07  SING  Y  N  42  
O7Y  C16  C15  DOUB  N  E  43  
O7Y  C09  O10  SING  Y  N  44  
O7Y  N07  C06  DOUB  Y  N  45  
O7Y  C14  C13  SING  N  N  46  
O7Y  C15  C13  SING  N  N  47  
O7Y  O10  C06  SING  Y  N  48  
O7Y  C13  C12  DOUB  N  E  49  
O7Y  C06  C05  SING  N  N  50  
O7Y  C12  C02  SING  N  N  51  
O7Y  C05  C04  SING  N  N  52  
O7Y  O11  C04  DOUB  N  N  53  
O7Y  C04  C03  SING  N  N  54  
O7Y  C02  C03  SING  N  N  55  
O7Y  C02  O01  SING  N  N  56  
O7Y  C15  H1   SING  N  N  57  
O7Y  C17  H2   SING  N  N  58  
O7Y  C17  H3   SING  N  N  59  
O7Y  C20  H4   SING  N  N  60  
O7Y  C21  H5   SING  N  N  61  
O7Y  C22  H6   SING  N  N  62  
O7Y  C24  H7   SING  N  N  63  
O7Y  C26  H8   SING  N  N  64  
O7Y  C26  H9   SING  N  N  65  
O7Y  C26  H10  SING  N  N  66  
O7Y  O01  H11  SING  N  N  67  
O7Y  C02  H12  SING  N  N  68  
O7Y  C03  H13  SING  N  N  69  
O7Y  C03  H14  SING  N  N  70  
O7Y  C05  H15  SING  N  N  71  
O7Y  C05  H16  SING  N  N  72  
O7Y  C09  H17  SING  N  N  73  
O7Y  C12  H18  SING  N  N  74  
O7Y  C14  H19  SING  N  N  75  
O7Y  C14  H20  SING  N  N  76  
O7Y  C14  H21  SING  N  N  77  
O7Y  C16  H22  SING  N  N  78  
O7Y  N18  H23  SING  N  N  79  
O7Y  C23  H24  SING  N  N  80  
O7Y  C23  H25  SING  N  N  81  
O7Y  C23  H26  SING  N  N  82  
O7Y  C25  H27  SING  N  N  83  
O7Y  C27  H28  SING  N  N  84  
O7Y  C27  H29  SING  N  N  85  
O7Y  N30  H30  SING  N  N  86  
O7Y  C32  H31  SING  N  N  87  
O7Y  C34  H32  SING  N  N  88  
O7Y  C35  H33  SING  N  N  89  
O7Y  C36  H34  SING  N  N  90  
O7Y  C37  H35  SING  N  N  91  
O7Y  C39  H36  SING  N  N  92  
O7Y  C44  H37  SING  N  N  93  
O7Y  C45  H38  SING  N  N  94  
O7Y  C45  H39  SING  N  N  95  
O7Y  C46  H40  SING  N  N  96  
O7Y  C46  H41  SING  N  N  97  
O7Y  C47  H42  SING  N  N  98  
O7Y  C47  H43  SING  N  N  99  
#   #
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
O7Y  SMILES            ACDLabs               12.01  "C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CCC5)=O)=O)C"  
O7Y  InChI             InChI                 1.03   "InChI=1S/C38H43N5O9/c1-23-8-6-14-39-33(46)13-12-24(2)35(25(3)21-51-38(49)42-32-17-26-9-4-5-10-27(26)20-40-32)52-37(48)31-11-7-15-43(31)36(47)30-22-50-34(41-30)19-29(45)18-28(44)16-23/h4-6,8-10,12-13,16-17,20,22,24-25,28,31,35,44H,7,11,14-15,18-19,21H2,1-3H3,(H,39,46)(H,40,42,49)/b8-6+,13-12+,23-16+/t24-,25-,28-,31-,35+/m1/s1"  
O7Y  InChIKey          InChI                 1.03   TZVIVTYQVAVLJC-GLOMSVDJSA-N  
O7Y  SMILES_CANONICAL  CACTVS                3.385  "C[C@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(=O)[C@H]4CCCN4C(=O)c5coc(CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]3C)n5"  
O7Y  SMILES            CACTVS                3.385  "C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=O)c5coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]3C)n5"  
O7Y  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4)O)/C"  
O7Y  SMILES            "OpenEye OEToolkits"  2.0.7  "CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4)O)C"  
#   #
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
O7Y  "SYSTEMATIC NAME"  ACDLabs               12.01  "(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate"  
O7Y  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "[(2~{R})-2-[(7~{R},10~{S},11~{R},12~{E},17~{E},19~{E},21~{S})-11,19-dimethyl-21-oxidanyl-2,8,14,23-tetrakis(oxidanylidene)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),12,17,19,25(28)-pentaen-10-yl]propyl] ~{N}-isoquinolin-3-ylcarbamate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
O7Y  "Create component"  2019-06-17  RCSB  
O7Y  "Initial release"   2020-06-17  RCSB  
##
