data_A1JJO
# 
_chem_comp.id                                    A1JJO 
_chem_comp.name                                  "(2R,4S,5R,6R)-5-acetamido-6-[(1S,2S)-1,2-bis(oxidanyl)-3-[(4-phenylphenyl)carbonylamino]propyl]-2-[[1-[(2R)-3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl]-1,2,3-triazol-4-yl]methyl]-4-oxidanyl-oxane-2-carboxylic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H40 N8 O11" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-07-07 
_chem_comp.pdbx_modified_date                    2025-12-05 
_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                        736.728 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1JJO 
_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        9RO7 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1JJO C11  C1   C 0  1 N N R N N N -11.808 37.086 -52.895 -4.596 -0.645 -0.083 C11  A1JJO 1  
A1JJO C2   C2   C 0  1 N N R N N N -13.675 38.027 -54.068 -4.483 1.747  0.038  C2   A1JJO 2  
A1JJO O1A  O1   O 0  1 N N N N N N -13.985 40.303 -53.475 -5.097 2.398  -2.141 O1A  A1JJO 3  
A1JJO N4   N1   N 0  1 Y N N N N N -15.618 34.142 -54.669 -0.292 2.180  -0.032 N4   A1JJO 4  
A1JJO C5   C3   C 0  1 N N R N N N -10.781 37.616 -53.895 -6.095 -0.638 0.231  C5   A1JJO 5  
A1JJO C7   C4   C 0  1 N N S N N N -11.418 35.812 -52.154 -3.963 -1.919 0.480  C7   A1JJO 6  
A1JJO C10  C5   C 0  1 N N N N N N -15.051 37.708 -54.654 -3.735 2.893  0.724  C10  A1JJO 7  
A1JJO C1   C6   C 0  1 N N N N N N -13.930 39.140 -53.030 -4.280 1.835  -1.452 C1   A1JJO 8  
A1JJO C8   C7   C 0  1 N N N N N N -8.326  37.614 -53.841 -7.886 -2.282 0.063  C8   A1JJO 9  
A1JJO C12  C8   C 0  1 N N N N N N -7.104  37.992 -53.060 -8.548 -3.452 -0.617 C12  A1JJO 10 
A1JJO C6   C9   C 0  1 N N S N N N -11.390 36.006 -50.636 -2.465 -1.925 0.167  C6   A1JJO 11 
A1JJO C9   C10  C 0  1 N N N N N N -11.371 34.670 -49.892 -1.832 -3.199 0.730  C9   A1JJO 12 
A1JJO C13  C11  C 0  1 N N N N N N -13.640 33.917 -49.393 0.370  -4.237 0.832  C13  A1JJO 13 
A1JJO C14  C12  C 0  1 Y N N N N N -14.785 33.937 -48.431 1.816  -4.243 0.530  C14  A1JJO 14 
A1JJO C15  C13  C 0  1 Y N N N N N -14.644 34.458 -47.150 2.613  -5.312 0.946  C15  A1JJO 15 
A1JJO C16  C14  C 0  1 Y N N N N N -15.728 34.533 -46.295 3.960  -5.317 0.664  C16  A1JJO 16 
A1JJO C17  C15  C 0  1 Y N N N N N -16.990 34.097 -46.688 4.530  -4.254 -0.038 C17  A1JJO 17 
A1JJO C20  C16  C 0  1 Y N N N N N -16.042 33.495 -48.830 2.387  -3.182 -0.178 C20  A1JJO 18 
A1JJO C21  C17  C 0  1 Y N N N N N -19.411 33.730 -46.162 6.554  -3.200 -1.042 C21  A1JJO 19 
A1JJO C23  C18  C 0  1 Y N N N N N -19.119 34.871 -43.666 8.129  -5.326 -0.211 C23  A1JJO 20 
A1JJO C24  C19  C 0  1 Y N N N N N -20.497 33.831 -45.309 7.906  -3.211 -1.321 C24  A1JJO 21 
A1JJO C25  C20  C 0  1 Y N N N N N -20.352 34.401 -44.063 8.692  -4.271 -0.907 C25  A1JJO 22 
A1JJO C27  C21  C 0  1 Y N N N N N -16.835 35.922 -55.145 -1.579 3.876  -0.241 C27  A1JJO 23 
A1JJO C28  C22  C 0  1 N N N N N N -17.856 33.657 -55.525 0.791  4.145  -1.020 C28  A1JJO 24 
A1JJO C29  C23  C 0  1 N N R N N N -17.385 32.220 -55.530 1.980  4.110  -0.058 C29  A1JJO 25 
A1JJO C30  C24  C 0  1 N N N N N N -17.490 31.606 -54.144 3.188  4.780  -0.715 C30  A1JJO 26 
A1JJO C31  C25  C 0  1 Y N N N N N -18.517 33.030 -52.342 4.744  5.502  1.122  C31  A1JJO 27 
A1JJO C32  C26  C 0  1 Y N N N N N -19.943 31.733 -53.371 5.263  3.614  0.144  C32  A1JJO 28 
A1JJO C33  C27  C 0  1 N N N N N N -17.267 33.747 -51.992 4.040  6.782  1.490  C33  A1JJO 29 
A1JJO C18  C28  C 0  1 Y N N N N N -18.155 34.192 -45.773 5.982  -4.260 -0.341 C18  A1JJO 30 
A1JJO C19  C29  C 0  1 Y N N N N N -17.125 33.580 -47.974 3.735  -3.186 -0.454 C19  A1JJO 31 
A1JJO C22  C30  C 0  1 Y N N N N N -18.026 34.765 -44.510 6.779  -5.326 0.074  C22  A1JJO 32 
A1JJO C26  C31  C 0  1 Y N N N N N -15.606 36.320 -54.717 -2.285 2.863  0.312  C26  A1JJO 33 
A1JJO C3   C32  C 0  1 N N N N N N -12.709 38.613 -55.104 -5.977 1.850  0.357  C3   A1JJO 34 
A1JJO C34  C33  C 0  1 Y N N N N N -20.566 32.400 -52.366 6.172  3.885  1.099  C34  A1JJO 35 
A1JJO C4   C34  C 0  1 N N S N N N -11.343 38.905 -54.487 -6.710 0.667  -0.283 C4   A1JJO 36 
A1JJO N5   N2   N 0  1 N N N N N N -9.500  37.879 -53.258 -6.738 -1.776 -0.431 N5   A1JJO 37 
A1JJO N2   N3   N 0  1 N N N N N N -12.500 34.485 -48.993 -0.398 -3.205 0.430  N2   A1JJO 38 
A1JJO N3   N4   N 0  1 Y N N N N N -14.885 35.205 -54.421 -1.443 1.829  0.423  N3   A1JJO 39 
A1JJO N1   N5   N 0  1 Y N N N N N -16.806 34.585 -55.115 -0.329 3.400  -0.440 N1   A1JJO 40 
A1JJO N6   N6   N 0  1 Y N N N N N -18.612 32.115 -53.354 4.358  4.641  0.156  N6   A1JJO 41 
A1JJO N7   N7   N 0  1 Y N N N N N -19.674 33.212 -51.729 5.832  5.045  1.679  N7   A1JJO 42 
A1JJO N8   N8   N 1  1 N N N N N N -20.527 30.805 -54.283 5.247  2.435  -0.751 N8   A1JJO 43 
A1JJO O6   O2   O 0  1 N N N N N N -13.085 36.849 -53.501 -3.981 0.497  0.515  O6   A1JJO 44 
A1JJO O1   O3   O 0  1 N N N N N N -19.837 30.296 -55.163 6.117  1.588  -0.658 O1   A1JJO 45 
A1JJO O11  O4   O -1 1 N N N N N N -21.715 30.535 -54.126 4.364  2.311  -1.580 O11  A1JJO 46 
A1JJO O1B  O5   O 0  1 N N N N N N -14.080 38.807 -51.839 -3.191 1.288  -2.014 O1B  A1JJO 47 
A1JJO O4   O6   O 0  1 N N N N N N -10.420 39.470 -55.419 -8.094 0.715  0.071  O4   A1JJO 48 
A1JJO O10  O7   O 0  1 N N N N N N -8.253  37.091 -54.950 -8.386 -1.795 1.055  O10  A1JJO 49 
A1JJO O3   O8   O 0  1 N N N N N N -10.132 35.411 -52.610 -4.579 -3.062 -0.118 O3   A1JJO 50 
A1JJO O8   O9   O 0  1 N N N N N N -12.485 36.824 -50.216 -1.849 -0.783 0.765  O8   A1JJO 51 
A1JJO O2   O10  O 0  1 N N N N N N -13.754 33.394 -50.498 -0.127 -5.163 1.443  O2   A1JJO 52 
A1JJO O5   O11  O 0  1 N N N N N N -18.230 31.509 -56.439 1.643  4.809  1.142  O5   A1JJO 53 
A1JJO H31  H31  H 0  1 N N N N N N -11.938 37.868 -52.132 -4.451 -0.613 -1.163 H31  A1JJO 54 
A1JJO H5   H2   H 0  1 N N N N N N -10.654 36.878 -54.701 -6.242 -0.713 1.308  H5   A1JJO 55 
A1JJO H7   H3   H 0  1 N N N N N N -12.157 35.032 -52.390 -4.109 -1.951 1.560  H7   A1JJO 56 
A1JJO H111 H111 H 0  0 N N N N N N -6.204  37.727 -53.635 -7.958 -3.750 -1.484 H111 A1JJO 57 
A1JJO H112 H112 H 0  0 N N N N N N -7.112  39.075 -52.869 -8.616 -4.287 0.080  H112 A1JJO 58 
A1JJO H113 H113 H 0  0 N N N N N N -7.099  37.451 -52.102 -9.549 -3.166 -0.940 H113 A1JJO 59 
A1JJO H8   H8   H 0  1 N N N N N N -10.453 36.527 -50.392 -2.320 -1.893 -0.913 H8   A1JJO 60 
A1JJO H91  H10  H 0  1 N N N N N N -11.382 33.859 -50.635 -1.978 -3.231 1.809  H91  A1JJO 61 
A1JJO H92  H11  H 0  1 N N N N N N -10.444 34.614 -49.302 -2.302 -4.071 0.274  H92  A1JJO 62 
A1JJO H12  H12  H 0  1 N N N N N N -13.677 34.808 -46.819 2.172  -6.135 1.490  H12  A1JJO 63 
A1JJO H13  H13  H 0  1 N N N N N N -15.593 34.938 -45.303 4.576  -6.144 0.985  H13  A1JJO 64 
A1JJO H14  H14  H 0  1 N N N N N N -16.174 33.081 -49.819 1.771  -2.357 -0.504 H14  A1JJO 65 
A1JJO H15  H15  H 0  1 N N N N N N -19.539 33.288 -47.139 5.942  -2.370 -1.362 H15  A1JJO 66 
A1JJO H16  H16  H 0  1 N N N N N N -19.004 35.324 -42.692 8.748  -6.151 0.110  H16  A1JJO 67 
A1JJO H17  H17  H 0  1 N N N N N N -21.462 33.461 -45.622 8.351  -2.390 -1.864 H17  A1JJO 68 
A1JJO H18  H18  H 0  1 N N N N N N -21.201 34.479 -43.400 9.749  -4.275 -1.127 H18  A1JJO 69 
A1JJO H19  H19  H 0  1 N N N N N N -17.659 36.552 -55.445 -1.941 4.866  -0.476 H19  A1JJO 70 
A1JJO H20  H20  H 0  1 N N N N N N -18.187 33.924 -56.539 0.491  5.179  -1.189 H20  A1JJO 71 
A1JJO H21  H21  H 0  1 N N N N N N -18.701 33.749 -54.827 1.078  3.690  -1.969 H21  A1JJO 72 
A1JJO H22  H22  H 0  1 N N N N N N -16.338 32.181 -55.866 2.224  3.075  0.181  H22  A1JJO 73 
A1JJO H23  H23  H 0  1 N N N N N N -17.610 30.518 -54.255 3.391  4.303  -1.674 H23  A1JJO 74 
A1JJO H24  H24  H 0  1 N N N N N N -16.558 31.819 -53.599 2.976  5.837  -0.873 H24  A1JJO 75 
A1JJO H25  H25  H 0  1 N N N N N N -17.461 34.438 -51.158 4.437  7.602  0.891  H25  A1JJO 76 
A1JJO H26  H26  H 0  1 N N N N N N -16.498 33.019 -51.694 2.972  6.677  1.299  H26  A1JJO 77 
A1JJO H27  H27  H 0  1 N N N N N N -16.914 34.316 -52.865 4.200  6.994  2.547  H27  A1JJO 78 
A1JJO H28  H28  H 0  1 N N N N N N -18.093 33.239 -48.309 4.177  -2.366 -1.001 H28  A1JJO 79 
A1JJO H29  H29  H 0  1 N N N N N N -17.063 35.131 -44.185 6.340  -6.150 0.617  H29  A1JJO 80 
A1JJO H32  H30  H 0  1 N N N N N N -13.131 39.549 -55.498 -6.122 1.827  1.437  H32  A1JJO 81 
A1JJO H2   H31  H 0  1 N N N N N N -12.584 37.892 -55.925 -6.372 2.783  -0.045 H2   A1JJO 82 
A1JJO H3   H32  H 0  1 N N N N N N -21.611 32.302 -52.109 7.026  3.274  1.354  H3   A1JJO 83 
A1JJO H4   H33  H 0  1 N N N N N N -11.495 39.614 -53.660 -6.607 0.717  -1.367 H4   A1JJO 84 
A1JJO HN5  H34  H 0  1 N N N N N N -9.497  38.277 -52.341 -6.339 -2.166 -1.224 HN5  A1JJO 85 
A1JJO HO1B H36  H 0  0 N N N N N N -14.245 39.580 -51.312 -3.104 1.370  -2.974 HO1B A1JJO 86 
A1JJO HO4  H37  H 0  1 N N N N N N -9.590  39.631 -54.985 -8.546 1.519  -0.218 HO4  A1JJO 87 
A1JJO HO7  H38  H 0  1 N N N N N N -9.869  34.617 -52.160 -4.489 -3.099 -1.080 HO7  A1JJO 88 
A1JJO HO8  H39  H 0  1 N N N N N N -12.454 36.935 -49.273 -1.939 -0.746 1.727  HO8  A1JJO 89 
A1JJO H40  H40  H 0  1 N N N N N N -18.879 31.018 -55.950 1.414  5.738  1.005  H40  A1JJO 90 
A1JJO H1   H1   H 0  1 N N N N N N -15.032 38.074 -55.691 -4.177 3.844  0.428  H1   A1JJO 91 
A1JJO H6   H6   H 0  1 N N N N N N -15.773 38.297 -54.070 -3.808 2.779  1.805  H6   A1JJO 92 
A1JJO H9   H9   H 0  1 N N N N N N -12.419 34.793 -48.045 -0.001 -2.466 -0.058 H9   A1JJO 93 
# 
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 
A1JJO O5  C29  SING N N 1  
A1JJO C29 C28  SING N N 2  
A1JJO C29 C30  SING N N 3  
A1JJO C28 N1   SING N N 4  
A1JJO O4  C4   SING N N 5  
A1JJO O1  N8   DOUB N N 6  
A1JJO C27 N1   SING Y N 7  
A1JJO C27 C26  DOUB Y N 8  
A1JJO N1  N4   SING Y N 9  
A1JJO C3  C4   SING N N 10 
A1JJO C3  C2   SING N N 11 
A1JJO O10 C8   DOUB N N 12 
A1JJO C26 C10  SING N N 13 
A1JJO C26 N3   SING Y N 14 
A1JJO N4  N3   DOUB Y N 15 
A1JJO C10 C2   SING N N 16 
A1JJO C4  C5   SING N N 17 
A1JJO N8  O11  SING N N 18 
A1JJO N8  C32  SING N N 19 
A1JJO C30 N6   SING N N 20 
A1JJO C2  O6   SING N N 21 
A1JJO C2  C1   SING N N 22 
A1JJO C5  N5   SING N N 23 
A1JJO C5  C11  SING N N 24 
A1JJO C8  N5   SING N N 25 
A1JJO C8  C12  SING N N 26 
A1JJO O6  C11  SING N N 27 
A1JJO O1A C1   DOUB N N 28 
A1JJO C32 N6   SING Y N 29 
A1JJO C32 C34  DOUB Y N 30 
A1JJO N6  C31  SING Y N 31 
A1JJO C1  O1B  SING N N 32 
A1JJO C11 C7   SING N N 33 
A1JJO O3  C7   SING N N 34 
A1JJO C34 N7   SING Y N 35 
A1JJO C31 C33  SING N N 36 
A1JJO C31 N7   DOUB Y N 37 
A1JJO C7  C6   SING N N 38 
A1JJO C6  O8   SING N N 39 
A1JJO C6  C9   SING N N 40 
A1JJO O2  C13  DOUB N N 41 
A1JJO C9  N2   SING N N 42 
A1JJO C13 N2   SING N N 43 
A1JJO C13 C14  SING N N 44 
A1JJO C20 C14  DOUB Y N 45 
A1JJO C20 C19  SING Y N 46 
A1JJO C14 C15  SING Y N 47 
A1JJO C19 C17  DOUB Y N 48 
A1JJO C15 C16  DOUB Y N 49 
A1JJO C17 C16  SING Y N 50 
A1JJO C17 C18  SING N N 51 
A1JJO C21 C18  DOUB Y N 52 
A1JJO C21 C24  SING Y N 53 
A1JJO C18 C22  SING Y N 54 
A1JJO C24 C25  DOUB Y N 55 
A1JJO C22 C23  DOUB Y N 56 
A1JJO C25 C23  SING Y N 57 
A1JJO C11 H31  SING N N 58 
A1JJO C5  H5   SING N N 59 
A1JJO C7  H7   SING N N 60 
A1JJO C12 H111 SING N N 61 
A1JJO C12 H112 SING N N 62 
A1JJO C12 H113 SING N N 63 
A1JJO C6  H8   SING N N 64 
A1JJO C9  H91  SING N N 65 
A1JJO C9  H92  SING N N 66 
A1JJO C15 H12  SING N N 67 
A1JJO C16 H13  SING N N 68 
A1JJO C20 H14  SING N N 69 
A1JJO C21 H15  SING N N 70 
A1JJO C23 H16  SING N N 71 
A1JJO C24 H17  SING N N 72 
A1JJO C25 H18  SING N N 73 
A1JJO C27 H19  SING N N 74 
A1JJO C28 H20  SING N N 75 
A1JJO C28 H21  SING N N 76 
A1JJO C29 H22  SING N N 77 
A1JJO C30 H23  SING N N 78 
A1JJO C30 H24  SING N N 79 
A1JJO C33 H25  SING N N 80 
A1JJO C33 H26  SING N N 81 
A1JJO C33 H27  SING N N 82 
A1JJO C19 H28  SING N N 83 
A1JJO C22 H29  SING N N 84 
A1JJO C3  H32  SING N N 85 
A1JJO C3  H2   SING N N 86 
A1JJO C34 H3   SING N N 87 
A1JJO C4  H4   SING N N 88 
A1JJO N5  HN5  SING N N 89 
A1JJO O1B HO1B SING N N 90 
A1JJO O4  HO4  SING N N 91 
A1JJO O3  HO7  SING N N 92 
A1JJO O8  HO8  SING N N 93 
A1JJO O5  H40  SING N N 94 
A1JJO C10 H1   SING N N 95 
A1JJO C10 H6   SING N N 96 
A1JJO N2  H9   SING N N 97 
# 
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 
A1JJO InChI            InChI                1.06  "InChI=1S/C34H40N8O11/c1-19-35-15-28(42(51)52)41(19)18-25(44)17-40-16-24(38-39-40)12-34(33(49)50)13-26(45)29(37-20(2)43)31(53-34)30(47)27(46)14-36-32(48)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-11,15-16,25-27,29-31,44-47H,12-14,17-18H2,1-2H3,(H,36,48)(H,37,43)(H,49,50)/t25-,26-,27-,29+,30-,31+,34+/m0/s1" 
A1JJO InChIKey         InChI                1.06  FRIYQLBYRJJVKV-OVWAZNNTSA-N                                                                                                                                                                                                                                                                                    
A1JJO SMILES_CANONICAL CACTVS               3.385 "CC(=O)N[C@@H]1[C@@H](O)C[C@@](Cc2cn(C[C@H](O)Cn3c(C)ncc3[N](=O)=O)nn2)(O[C@H]1[C@@H](O)[C@@H](O)CNC(=O)c4ccc(cc4)c5ccccc5)C(O)=O"                                                                                                                                                                             
A1JJO SMILES           CACTVS               3.385 "CC(=O)N[CH]1[CH](O)C[C](Cc2cn(C[CH](O)Cn3c(C)ncc3[N](=O)=O)nn2)(O[CH]1[CH](O)[CH](O)CNC(=O)c4ccc(cc4)c5ccccc5)C(O)=O"                                                                                                                                                                                         
A1JJO SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1ncc(n1C[C@H](Cn2cc(nn2)C[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@H]([C@H](CNC(=O)c4ccc(cc4)c5ccccc5)O)O)NC(=O)C)O)C(=O)O)O)N(=O)=O"                                                                                                                                                                               
A1JJO SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1ncc(n1CC(Cn2cc(nn2)CC3(CC(C(C(O3)C(C(CNC(=O)c4ccc(cc4)c5ccccc5)O)O)NC(=O)C)O)C(=O)O)O)N(=O)=O"                                                                                                                                                                                                             
# 
_pdbx_chem_comp_identifier.comp_id           A1JJO 
_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        "(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{S},2~{S})-1,2-bis(oxidanyl)-3-[(4-phenylphenyl)carbonylamino]propyl]-2-[[1-[(2~{R})-3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl]-1,2,3-triazol-4-yl]methyl]-4-oxidanyl-oxane-2-carboxylic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1JJO "Create component"   2025-07-07 PDBE 
A1JJO "Other modification" 2025-12-04 RCSB 
A1JJO "Initial release"    2025-12-10 RCSB 
# 
