data_A1EAU
# 
_chem_comp.id                                    A1EAU 
_chem_comp.name                                  "~{N}2,~{N}6-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]naphthalene-2,6-dicarboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C32 H46 N2 O16" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-08-19 
_chem_comp.pdbx_modified_date                    2024-11-29 
_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                        714.711 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EAU 
_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        9J1C 
_chem_comp.pdbx_subcomponent_list                "NDD I2J MAN I2J MAN" 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1EAU C6   C2  C 0 1 Y N N N N N 0.205  15.427 -17.594 1.143  3.080  -1.464 C1    NDD 1  
A1EAU C7   C24 C 0 1 Y N N N N N -0.612 15.239 -16.483 2.367  3.080  -0.816 C2    NDD 2  
A1EAU C8   C25 C 0 1 Y N N N N N -0.066 15.180 -15.212 2.431  3.080  0.588  C3    NDD 3  
A1EAU C9   C26 C 0 1 Y N N N N N 1.314  15.314 -15.075 1.299  3.081  1.337  C4    NDD 4  
A1EAU C4   C4  C 0 1 Y N N N N N 2.146  15.503 -16.184 0.039  3.080  0.709  C4A   NDD 5  
A1EAU C5   C1  C 0 1 Y N N N N N 3.529  15.637 -16.037 -1.143 3.080  1.464  C5    NDD 6  
A1EAU C    C5  C 0 1 Y N N N N N 4.339  15.829 -17.157 -2.367 3.080  0.816  C6    NDD 7  
A1EAU C1   C6  C 0 1 Y N N N N N 3.757  15.893 -18.416 -2.431 3.080  -0.588 C7    NDD 8  
A1EAU C2   C3  C 0 1 Y N N N N N 2.380  15.755 -18.570 -1.299 3.079  -1.337 C8    NDD 9  
A1EAU C3   C18 C 0 1 Y N N N N N 1.579  15.565 -17.452 -0.039 3.080  -0.708 C8A   NDD 10 
A1EAU C31  C19 C 0 1 N N N N N N -2.078 15.082 -16.719 3.616  3.080  -1.608 "C2'" NDD 11 
A1EAU O8   O9  O 0 1 N N N N N N -2.437 15.124 -17.881 3.565  3.079  -2.822 "O1'" NDD 12 
A1EAU C11  C7  C 0 1 N N N N N N 5.835  15.987 -17.032 -3.616 3.080  1.608  "C6'" NDD 13 
A1EAU O    O1  O 0 1 N N N N N N 6.500  15.108 -16.473 -3.566 3.079  2.822  "O3'" NDD 14 
A1EAU C29  C16 C 0 1 N N N N N N 7.716  14.360 -21.234 -8.287 0.417  -1.574 C4    I2J 15 
A1EAU C16  C11 C 0 1 N N N N N N 6.736  14.851 -20.172 -8.363 1.756  -0.838 C3    I2J 16 
A1EAU C14  C9  C 0 1 N N N N N N 6.472  17.249 -20.082 -7.250 3.079  0.822  C2    I2J 17 
A1EAU C13  C8  C 0 1 N N N N N N 7.229  17.115 -18.747 -6.047 3.079  1.767  C1    I2J 18 
A1EAU N    N2  N 0 1 N N N N N N 6.379  17.100 -17.560 -4.810 3.080  0.983  N     I2J 19 
A1EAU O1   O2  O 0 1 N N N N N N 5.991  15.996 -20.608 -7.273 1.858  0.079  O2    I2J 20 
A1EAU O1M2 O11 O 0 0 N N N N N N 8.410  13.210 -20.740 -8.476 -0.650 -0.641 O4    I2J 21 
A1EAU C1M2 C27 C 0 0 N N S N N N 8.055  12.026 -21.443 -8.423 -1.952 -1.229 C1    MAN 22 
A1EAU C2M2 C28 C 0 0 N N S N N N 8.606  12.129 -22.858 -8.880 -2.993 -0.204 C2    MAN 23 
A1EAU C3M2 C29 C 0 0 N N S N N N 7.523  11.920 -23.918 -7.918 -2.981 0.988  C3    MAN 24 
A1EAU C4M2 C30 C 0 0 N N S N N N 6.599  10.779 -23.569 -6.496 -3.246 0.484  C4    MAN 25 
A1EAU C5M2 C31 C 0 0 N N R N N N 6.074  10.881 -22.151 -6.131 -2.195 -0.567 C5    MAN 26 
A1EAU C6M2 C32 C 0 0 N N N N N N 6.380  9.631  -21.362 -4.734 -2.488 -1.118 C6    MAN 27 
A1EAU O2M2 O12 O 0 0 N N N N N N 9.658  11.173 -23.002 -8.880 -4.288 -0.807 O2    MAN 28 
A1EAU O3M2 O13 O 0 0 N N N N N N 8.082  11.636 -25.212 -8.295 -4.001 1.916  O3    MAN 29 
A1EAU O4M2 O14 O 0 0 N N N N N N 5.482  10.873 -24.451 -5.580 -3.166 1.578  O4    MAN 30 
A1EAU O5M2 O15 O 0 0 N N N N N N 6.638  11.984 -21.461 -7.083 -2.238 -1.632 O5    MAN 31 
A1EAU O6M2 O16 O 0 0 N N N N N N 5.151  8.999  -21.050 -4.346 -1.443 -2.013 O6    MAN 32 
A1EAU C18  C13 C 0 1 N N N N N N -5.650 17.287 -14.382 8.287  0.417  1.574  C4    I2J 33 
A1EAU C22  C15 C 0 1 N N N N N N -6.304 16.485 -15.513 8.363  1.757  0.838  C3    I2J 34 
A1EAU C17  C12 C 0 1 N N N N N N -5.278 14.410 -14.911 7.250  3.079  -0.822 C2    I2J 35 
A1EAU C15  C10 C 0 1 N N N N N N -4.331 14.552 -16.102 6.047  3.079  -1.767 C1    I2J 36 
A1EAU N1   N1  N 0 1 N N N N N N -2.952 14.857 -15.737 4.810  3.080  -0.983 N     I2J 37 
A1EAU O9   O10 O 0 1 N N N N N N -6.504 15.112 -15.150 7.273  1.859  -0.080 O2    I2J 38 
A1EAU O1M  O3  O 0 1 N N N N N N -4.703 18.209 -14.946 8.476  -0.650 0.642  O4    I2J 39 
A1EAU C1M  C14 C 0 1 N N S N N N -3.836 18.897 -14.032 8.423  -1.951 1.229  C1    MAN 40 
A1EAU C2M  C17 C 0 1 N N S N N N -3.998 18.398 -12.594 8.881  -2.993 0.205  C2    MAN 41 
A1EAU C3M  C20 C 0 1 N N S N N N -4.582 19.426 -11.651 7.919  -2.982 -0.987 C3    MAN 42 
A1EAU C4M  C21 C 0 1 N N S N N N -3.882 20.775 -11.771 6.497  -3.246 -0.484 C4    MAN 43 
A1EAU C5M  C22 C 0 1 N N R N N N -3.604 21.219 -13.200 6.131  -2.195 0.567  C5    MAN 44 
A1EAU C6M  C23 C 0 1 N N N N N N -2.117 21.511 -13.362 4.734  -2.488 1.117  C6    MAN 45 
A1EAU O2M  O4  O 0 1 N N N N N N -2.710 18.065 -12.095 8.879  -4.288 0.808  O2    MAN 46 
A1EAU O3M  O5  O 0 1 N N N N N N -4.450 18.953 -10.300 8.296  -4.001 -1.915 O3    MAN 47 
A1EAU O4M  O6  O 0 1 N N N N N N -4.762 21.750 -11.220 5.581  -3.167 -1.578 O4    MAN 48 
A1EAU O5M  O7  O 0 1 N N N N N N -4.100 20.297 -14.187 7.082  -2.238 1.632  O5    MAN 49 
A1EAU O6M  O8  O 0 1 N N N N N N -1.815 21.886 -14.700 4.346  -1.443 2.011  O6    MAN 50 
A1EAU H2   H2  H 0 1 N N N N N N -0.236 15.466 -18.579 1.099  3.085  -2.543 H1    NDD 51 
A1EAU H30  H30 H 0 1 N N N N N N -0.695 15.033 -14.347 3.394  3.080  1.077  H3    NDD 52 
A1EAU H31  H31 H 0 1 N N N N N N 1.752  15.271 -14.089 1.364  3.081  2.415  H4    NDD 53 
A1EAU H1   H1  H 0 1 N N N N N N 3.973  15.592 -15.053 -1.099 3.080  2.543  H5    NDD 54 
A1EAU H6   H6  H 0 1 N N N N N N 4.379  16.051 -19.285 -3.394 3.080  -1.078 H7    NDD 55 
A1EAU H4   H4  H 0 1 N N N N N N 1.937  15.796 -19.554 -1.364 3.079  -2.414 H8    NDD 56 
A1EAU H22  H22 H 0 1 N N N N N N 8.440  15.156 -21.463 -9.066 0.376  -2.336 H1    I2J 57 
A1EAU H23  H23 H 0 1 N N N N N N 7.165  14.092 -22.147 -7.310 0.317  -2.047 H2    I2J 58 
A1EAU H13  H13 H 0 1 N N N N N N 6.032  14.039 -19.938 -8.308 2.571  -1.561 H3    I2J 59 
A1EAU H14  H14 H 0 1 N N N N N N 7.300  15.120 -19.267 -9.305 1.818  -0.292 H4    I2J 60 
A1EAU H9   H9  H 0 1 N N N N N N 7.151  17.698 -20.822 -8.168 3.168  1.402  H5    I2J 61 
A1EAU H10  H10 H 0 1 N N N N N N 5.609  17.913 -19.926 -7.172 3.921  0.134  H6    I2J 62 
A1EAU H7   H7  H 0 1 N N N N N N 7.801  16.175 -18.771 -6.079 3.969  2.396  H7    I2J 63 
A1EAU H8   H8  H 0 1 N N N N N N 7.923  17.964 -18.660 -6.079 2.189  2.395  H8    I2J 64 
A1EAU H5   H5  H 0 1 N N N N N N 6.188  17.973 -17.110 -4.850 3.080  0.014  H11   I2J 65 
A1EAU H36  H36 H 0 1 N N N N N N 8.471  11.135 -20.950 -9.080 -1.985 -2.099 H1    MAN 66 
A1EAU H37  H37 H 0 1 N N N N N N 9.017  13.141 -22.990 -9.887 -2.751 0.137  H2    MAN 67 
A1EAU H38  H38 H 0 1 N N N N N N 6.925  12.841 -23.978 -7.957 -2.009 1.478  H3    MAN 68 
A1EAU H39  H39 H 0 1 N N N N N N 7.125  9.822  -23.701 -6.446 -4.240 0.039  H4    MAN 69 
A1EAU H40  H40 H 0 1 N N N N N N 4.981  10.999 -22.198 -6.142 -1.205 -0.110 H5    MAN 70 
A1EAU H41  H41 H 0 1 N N N N N N 7.006  8.954  -21.962 -4.023 -2.544 -0.294 H61   MAN 71 
A1EAU H42  H42 H 0 1 N N N N N N 6.910  9.895  -20.435 -4.747 -3.438 -1.653 H62   MAN 72 
A1EAU H43  H43 H 0 1 N N N N N N 10.317 11.323 -22.334 -9.465 -4.366 -1.573 HO2   MAN 73 
A1EAU H44  H44 H 0 1 N N N N N N 8.671  12.337 -25.464 -9.186 -3.896 2.275  HO3   MAN 74 
A1EAU H45  H45 H 0 1 N N N N N N 4.871  10.170 -24.265 -5.755 -3.802 2.285  HO4   MAN 75 
A1EAU H46  H46 H 0 1 N N N N N N 5.319  8.208  -20.552 -3.469 -1.564 -2.401 HO6   MAN 76 
A1EAU H17  H17 H 0 1 N N N N N N -6.422 17.843 -13.831 9.066  0.376  2.335  H1    I2J 77 
A1EAU H18  H18 H 0 1 N N N N N N -5.132 16.601 -13.696 7.310  0.317  2.047  H2    I2J 78 
A1EAU H20  H20 H 0 1 N N N N N N -5.655 16.527 -16.400 8.308  2.571  1.560  H3    I2J 79 
A1EAU H21  H21 H 0 1 N N N N N N -7.279 16.936 -15.750 9.305  1.818  0.292  H4    I2J 80 
A1EAU H15  H15 H 0 1 N N N N N N -5.498 13.344 -14.750 8.168  3.168  -1.403 H5    I2J 81 
A1EAU H16  H16 H 0 1 N N N N N N -4.794 14.824 -14.014 7.172  3.921  -0.135 H6    I2J 82 
A1EAU H11  H11 H 0 1 N N N N N N -4.705 15.362 -16.745 6.079  3.969  -2.396 H7    I2J 83 
A1EAU H12  H12 H 0 1 N N N N N N -4.338 13.606 -16.663 6.079  2.189  -2.395 H8    I2J 84 
A1EAU H3   H3  H 0 1 N N N N N N -2.670 14.896 -14.778 4.850  3.080  -0.014 H11   I2J 85 
A1EAU H19  H19 H 0 1 N N N N N N -2.794 18.704 -14.329 9.079  -1.984 2.099  H1    MAN 86 
A1EAU H24  H24 H 0 1 N N N N N N -4.646 17.509 -12.599 9.887  -2.751 -0.136 H2    MAN 87 
A1EAU H25  H25 H 0 1 N N N N N N -5.646 19.562 -11.894 7.958  -2.009 -1.478 H3    MAN 88 
A1EAU H26  H26 H 0 1 N N N N N N -2.936 20.744 -11.210 6.447  -4.240 -0.039 H4    MAN 89 
A1EAU H27  H27 H 0 1 N N N N N N -4.130 22.175 -13.342 6.142  -1.205 0.110  H5    MAN 90 
A1EAU H28  H28 H 0 1 N N N N N N -1.543 20.609 -13.103 4.023  -2.544 0.293  H61   MAN 91 
A1EAU H29  H29 H 0 1 N N N N N N -1.836 22.332 -12.686 4.746  -3.438 1.652  H62   MAN 92 
A1EAU H32  H32 H 0 1 N N N N N N -2.787 17.752 -11.201 9.463  -4.366 1.574  HO2   MAN 93 
A1EAU H33  H33 H 0 1 N N N N N N -4.815 19.595 -9.702  9.190  -3.900 -2.269 HO3   MAN 94 
A1EAU H34  H34 H 0 1 N N N N N N -4.969 21.519 -10.322 5.756  -3.803 -2.285 HO4   MAN 95 
A1EAU H35  H35 H 0 1 N N N N N N -0.885 22.063 -14.778 3.468  -1.563 2.399  HO6   MAN 96 
# 
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 
A1EAU O3M2 C3M2 SING N N 1  
A1EAU O4M2 C4M2 SING N N 2  
A1EAU C3M2 C4M2 SING N N 3  
A1EAU C3M2 C2M2 SING N N 4  
A1EAU C4M2 C5M2 SING N N 5  
A1EAU O2M2 C2M2 SING N N 6  
A1EAU C2M2 C1M2 SING N N 7  
A1EAU C5M2 O5M2 SING N N 8  
A1EAU C5M2 C6M2 SING N N 9  
A1EAU O5M2 C1M2 SING N N 10 
A1EAU C1M2 O1M2 SING N N 11 
A1EAU C6M2 O6M2 SING N N 12 
A1EAU C29  O1M2 SING N N 13 
A1EAU C29  C16  SING N N 14 
A1EAU O1   C16  SING N N 15 
A1EAU O1   C14  SING N N 16 
A1EAU C14  C13  SING N N 17 
A1EAU C13  N    SING N N 18 
A1EAU C2   C1   DOUB Y N 19 
A1EAU C2   C3   SING Y N 20 
A1EAU C1   C    SING Y N 21 
A1EAU O8   C31  DOUB N N 22 
A1EAU C6   C3   DOUB Y N 23 
A1EAU C6   C7   SING Y N 24 
A1EAU N    C11  SING N N 25 
A1EAU C3   C4   SING Y N 26 
A1EAU C    C11  SING N N 27 
A1EAU C    C5   DOUB Y N 28 
A1EAU C11  O    DOUB N N 29 
A1EAU C31  C7   SING N N 30 
A1EAU C31  N1   SING N N 31 
A1EAU C7   C8   DOUB Y N 32 
A1EAU C4   C5   SING Y N 33 
A1EAU C4   C9   DOUB Y N 34 
A1EAU C15  N1   SING N N 35 
A1EAU C15  C17  SING N N 36 
A1EAU C22  O9   SING N N 37 
A1EAU C22  C18  SING N N 38 
A1EAU C8   C9   SING Y N 39 
A1EAU O9   C17  SING N N 40 
A1EAU O1M  C18  SING N N 41 
A1EAU O1M  C1M  SING N N 42 
A1EAU O6M  C6M  SING N N 43 
A1EAU O5M  C1M  SING N N 44 
A1EAU O5M  C5M  SING N N 45 
A1EAU C1M  C2M  SING N N 46 
A1EAU C6M  C5M  SING N N 47 
A1EAU C5M  C4M  SING N N 48 
A1EAU C2M  O2M  SING N N 49 
A1EAU C2M  C3M  SING N N 50 
A1EAU C4M  C3M  SING N N 51 
A1EAU C4M  O4M  SING N N 52 
A1EAU C3M  O3M  SING N N 53 
A1EAU C5   H1   SING N N 54 
A1EAU C6   H2   SING N N 55 
A1EAU N1   H3   SING N N 56 
A1EAU C2   H4   SING N N 57 
A1EAU N    H5   SING N N 58 
A1EAU C1   H6   SING N N 59 
A1EAU C13  H7   SING N N 60 
A1EAU C13  H8   SING N N 61 
A1EAU C14  H9   SING N N 62 
A1EAU C14  H10  SING N N 63 
A1EAU C15  H11  SING N N 64 
A1EAU C15  H12  SING N N 65 
A1EAU C16  H13  SING N N 66 
A1EAU C16  H14  SING N N 67 
A1EAU C17  H15  SING N N 68 
A1EAU C17  H16  SING N N 69 
A1EAU C18  H17  SING N N 70 
A1EAU C18  H18  SING N N 71 
A1EAU C1M  H19  SING N N 72 
A1EAU C22  H20  SING N N 73 
A1EAU C22  H21  SING N N 74 
A1EAU C29  H22  SING N N 75 
A1EAU C29  H23  SING N N 76 
A1EAU C2M  H24  SING N N 77 
A1EAU C3M  H25  SING N N 78 
A1EAU C4M  H26  SING N N 79 
A1EAU C5M  H27  SING N N 80 
A1EAU C6M  H28  SING N N 81 
A1EAU C6M  H29  SING N N 82 
A1EAU C8   H30  SING N N 83 
A1EAU C9   H31  SING N N 84 
A1EAU O2M  H32  SING N N 85 
A1EAU O3M  H33  SING N N 86 
A1EAU O4M  H34  SING N N 87 
A1EAU O6M  H35  SING N N 88 
A1EAU C1M2 H36  SING N N 89 
A1EAU C2M2 H37  SING N N 90 
A1EAU C3M2 H38  SING N N 91 
A1EAU C4M2 H39  SING N N 92 
A1EAU C5M2 H40  SING N N 93 
A1EAU C6M2 H41  SING N N 94 
A1EAU C6M2 H42  SING N N 95 
A1EAU O2M2 H43  SING N N 96 
A1EAU O3M2 H44  SING N N 97 
A1EAU O4M2 H45  SING N N 98 
A1EAU O6M2 H46  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 
A1EAU InChI            InChI                1.06  "InChI=1S/C32H46N2O16/c35-15-21-23(37)25(39)27(41)31(49-21)47-11-9-45-7-5-33-29(43)19-3-1-17-13-20(4-2-18(17)14-19)30(44)34-6-8-46-10-12-48-32-28(42)26(40)24(38)22(16-36)50-32/h1-4,13-14,21-28,31-32,35-42H,5-12,15-16H2,(H,33,43)(H,34,44)/t21-,22-,23-,24-,25+,26+,27+,28+,31+,32+/m1/s1" 
A1EAU InChIKey         InChI                1.06  IGDPOUCLGLHGCQ-IEOQPZBNSA-N                                                                                                                                                                                                                                                                   
A1EAU SMILES_CANONICAL CACTVS               3.385 "OC[C@H]1O[C@H](OCCOCCNC(=O)c2ccc3cc(ccc3c2)C(=O)NCCOCCO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]1O"                                                                                                                                                                 
A1EAU SMILES           CACTVS               3.385 "OC[CH]1O[CH](OCCOCCNC(=O)c2ccc3cc(ccc3c2)C(=O)NCCOCCO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O"                                                                                                                                                                                
A1EAU SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "c1cc(cc2c1cc(cc2)C(=O)NCCOCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)NCCOCCO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O"                                                                                                                                                            
A1EAU SMILES           "OpenEye OEToolkits" 2.0.7 "c1cc(cc2c1cc(cc2)C(=O)NCCOCCOC3C(C(C(C(O3)CO)O)O)O)C(=O)NCCOCCOC4C(C(C(C(O4)CO)O)O)O"                                                                                                                                                                                                        
# 
_pdbx_chem_comp_identifier.comp_id           A1EAU 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "~{N}2,~{N}6-bis[2-[2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethoxy]ethyl]naphthalene-2,6-dicarboxamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EAU "Create component" 2024-08-19 PDBC 
A1EAU "Initial release"  2024-12-04 RCSB 
# 
