data_OIY
# 
_chem_comp.id                                    OIY 
_chem_comp.name                                  "Streptothricin D" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H58 N12 O10" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-05-03 
_chem_comp.pdbx_modified_date                    2023-04-14 
_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                        758.867 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     OIY 
_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        7UW1 
_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 
OIY C12 C1  C 0 1 N N R 224.989 161.875 201.332 7.402   -0.243 0.070  C12 OIY 1   
OIY C13 C2  C 0 1 N N R 225.583 160.462 201.438 6.996   -1.674 0.433  C13 OIY 2   
OIY C14 C3  C 0 1 N N S 224.532 159.478 201.973 8.112   -2.318 1.262  C14 OIY 3   
OIY C15 C4  C 0 1 N N R 223.913 160.002 203.271 9.419   -2.268 0.465  C15 OIY 4   
OIY C16 C5  C 0 1 N N R 223.449 161.461 203.120 9.731   -0.814 0.101  C16 OIY 5   
OIY C18 C6  C 0 1 N N N 223.016 162.061 204.454 11.003  -0.762 -0.747 C18 OIY 6   
OIY C21 C7  C 0 1 N N N 224.615 158.997 205.295 10.391  -3.634 -1.234 C21 OIY 7   
OIY C26 C8  C 0 1 N N N 227.463 159.694 199.991 4.565   -1.608 0.587  C26 OIY 8   
OIY C28 C9  C 0 1 N N N 227.740 159.247 198.562 3.291   -1.582 1.391  C28 OIY 9   
OIY C29 C10 C 0 1 N N S 229.011 159.860 197.951 2.091   -1.538 0.443  C29 OIY 10  
OIY C30 C11 C 0 1 N N N 228.692 161.140 197.152 0.804   -1.386 1.257  C30 OIY 11  
OIY C31 C12 C 0 1 N N N 228.527 162.427 197.971 -0.383  -1.217 0.306  C31 OIY 12  
OIY C32 C13 C 0 1 N N N 229.089 163.660 197.268 -1.670  -1.064 1.120  C32 OIY 13  
OIY C01 C14 C 0 1 N N N 223.969 167.261 197.744 4.357   5.928  -0.294 C01 OIY 14  
OIY C02 C15 C 0 1 N N R 223.677 165.769 198.036 4.266   4.761  -1.281 C02 OIY 15  
OIY C03 C16 C 0 1 N N S 224.366 165.516 199.347 4.735   3.499  -0.602 C03 OIY 16  
OIY C04 C17 C 0 1 N N S 225.834 165.853 199.149 6.125   3.832  0.030  C04 OIY 17  
OIY C05 C18 C 0 1 N N N 225.967 167.319 199.366 5.769   4.613  1.261  C05 OIY 18  
OIY C09 C19 C 0 1 N N N 225.750 163.947 200.240 6.079   1.700  -0.656 C09 OIY 19  
OIY C34 C20 C 0 1 N N N 228.091 165.005 195.360 -4.050  -0.750 0.706  C34 OIY 20  
OIY C36 C21 C 0 1 N N N 226.956 165.891 194.772 -5.220  -0.584 -0.230 C36 OIY 21  
OIY C37 C22 C 0 1 N N S 226.904 167.286 195.422 -6.506  -0.432 0.583  C37 OIY 22  
OIY C38 C23 C 0 1 N N N 225.943 168.181 194.618 -7.707  -0.387 -0.364 C38 OIY 23  
OIY C39 C24 C 0 1 N N N 226.118 167.993 193.073 -9.000  -0.361 0.452  C39 OIY 24  
OIY C40 C25 C 0 1 N N N 224.752 167.952 192.319 -10.201 -0.317 -0.496 C40 OIY 25  
OIY C42 C26 C 0 1 N N N 223.747 166.835 190.240 -12.632 -0.251 -0.342 C42 OIY 26  
OIY C44 C27 C 0 1 N N N 223.942 166.089 188.895 -13.906 -0.225 0.462  C44 OIY 27  
OIY C45 C28 C 0 1 N N S 222.800 165.106 188.609 -15.106 -0.181 -0.485 C45 OIY 28  
OIY C46 C29 C 0 1 N N N 223.179 164.217 187.416 -16.393 -0.029 0.328  C46 OIY 29  
OIY C47 C30 C 0 1 N N N 222.312 162.928 187.347 -17.580 0.140  -0.622 C47 OIY 30  
OIY C48 C31 C 0 1 N N N 222.878 161.893 186.337 -18.867 0.293  0.191  C48 OIY 31  
OIY N07 N1  N 0 1 N N N 224.975 167.939 198.601 4.822   5.570  1.036  N07 OIY 32  
OIY N08 N2  N 0 1 N N N 226.663 164.824 199.839 6.688   2.505  0.183  N08 OIY 33  
OIY N10 N3  N 0 1 N N N 224.422 164.231 199.981 5.111   2.350  -1.414 N10 OIY 34  
OIY N11 N4  N 0 1 N N N 226.010 162.798 200.887 6.365   0.360  -0.772 N11 OIY 35  
OIY N23 N5  N 0 1 N N N 225.603 159.013 206.248 10.328  -4.376 -2.357 N23 OIY 36  
OIY N25 N6  N 0 1 N N N 226.124 160.005 200.178 5.758   -1.648 1.214  N25 OIY 37  
OIY N33 N7  N 0 1 N N N 228.006 164.489 196.752 -2.806  -0.902 0.210  N33 OIY 38  
OIY N41 N8  N 0 1 N N N 224.922 167.241 191.031 -11.440 -0.291 0.286  N41 OIY 39  
OIY N49 N9  N 0 1 N N N 221.987 160.728 186.243 -20.007 0.455  -0.721 N49 OIY 40  
OIY N50 N10 N 0 1 N N N 221.589 165.841 188.301 -15.163 -1.426 -1.263 N50 OIY 41  
OIY N51 N11 N 0 1 N N N 228.223 167.871 195.419 -6.450  0.814  1.360  N51 OIY 42  
OIY N52 N12 N 0 1 N N N 229.625 158.883 197.048 2.035   -2.783 -0.334 N52 OIY 43  
OIY O06 O1  O 0 1 N N N 226.799 167.873 200.076 6.272   4.413  2.346  O06 OIY 44  
OIY O17 O2  O 0 1 N N N 224.501 162.288 202.610 8.640   -0.266 -0.642 O17 OIY 45  
OIY O19 O3  O 0 1 N N N 221.777 162.720 204.271 11.359  0.601  -0.988 O19 OIY 46  
OIY O20 O4  O 0 1 N N N 224.877 159.913 204.316 9.277   -3.053 -0.749 O20 OIY 47  
OIY O22 O5  O 0 1 N N N 223.637 158.259 205.327 11.451  -3.490 -0.659 O22 OIY 48  
OIY O24 O6  O 0 1 N N N 223.496 159.315 201.004 8.271   -1.600 2.487  O24 OIY 49  
OIY O27 O7  O 0 1 N N N 228.333 159.761 200.855 4.518   -1.593 -0.625 O27 OIY 50  
OIY O35 O8  O 0 1 N N N 229.035 164.737 194.693 -4.229  -0.748 1.906  O35 OIY 51  
OIY O43 O9  O 0 1 N N N 222.655 167.079 190.633 -12.679 -0.236 -1.554 O43 OIY 52  
OIY O53 O10 O 0 1 N N N 224.224 164.983 196.982 5.094   5.029  -2.414 O53 OIY 53  
OIY H1  H1  H 0 1 N N N 224.165 161.854 200.604 7.517   0.344  0.981  H1  OIY 54  
OIY H2  H2  H 0 1 N N N 226.399 160.503 202.174 6.841   -2.251 -0.479 H2  OIY 55  
OIY H3  H3  H 0 1 N N N 225.020 158.513 202.176 7.855   -3.355 1.477  H3  OIY 56  
OIY H4  H4  H 0 1 N N N 223.037 159.383 203.515 10.230  -2.675 1.069  H4  OIY 57  
OIY H5  H5  H 0 1 N N N 222.591 161.483 202.432 9.877   -0.235 1.012  H5  OIY 58  
OIY H6  H6  H 0 1 N N N 222.904 161.261 205.201 11.814  -1.260 -0.215 H6  OIY 59  
OIY H7  H7  H 0 1 N N N 223.772 162.782 204.799 10.828  -1.266 -1.697 H7  OIY 60  
OIY H8  H8  H 0 1 N N N 226.882 159.535 197.937 3.233   -2.478 2.009  H8  OIY 61  
OIY H9  H9  H 0 1 N N N 227.847 158.152 198.556 3.283   -0.699 2.030  H9  OIY 62  
OIY H10 H10 H 0 1 N N N 229.711 160.112 198.762 2.194   -0.691 -0.235 H10 OIY 63  
OIY H11 H11 H 0 1 N N N 229.511 161.301 196.435 0.655   -2.274 1.870  H11 OIY 64  
OIY H12 H12 H 0 1 N N N 227.754 160.968 196.604 0.882   -0.510 1.900  H12 OIY 65  
OIY H13 H13 H 0 1 N N N 227.455 162.588 198.157 -0.234  -0.328 -0.307 H13 OIY 66  
OIY H14 H14 H 0 1 N N N 229.051 162.301 198.930 -0.461  -2.093 -0.337 H14 OIY 67  
OIY H15 H15 H 0 1 N N N 229.730 163.341 196.433 -1.819  -1.953 1.733  H15 OIY 68  
OIY H16 H16 H 0 1 N N N 229.684 164.246 197.984 -1.592  -0.188 1.763  H16 OIY 69  
OIY H17 H17 H 0 1 N N N 224.320 167.332 196.704 5.035   6.675  -0.706 H17 OIY 70  
OIY H18 H18 H 0 1 N N N 223.022 167.810 197.849 3.369   6.379  -0.203 H18 OIY 71  
OIY H19 H19 H 0 1 N N N 222.593 165.614 198.136 3.233   4.638  -1.605 H19 OIY 72  
OIY H20 H20 H 0 1 N N N 223.964 166.238 200.072 4.022   3.199  0.166  H20 OIY 73  
OIY H21 H21 H 0 1 N N N 226.018 165.701 198.075 6.722   4.440  -0.649 H21 OIY 74  
OIY H22 H22 H 0 1 N N N 227.125 166.011 193.692 -5.070  0.305  -0.843 H22 OIY 75  
OIY H23 H23 H 0 1 N N N 225.992 165.387 194.939 -5.298  -1.460 -0.873 H23 OIY 76  
OIY H24 H24 H 0 1 N N N 226.529 167.189 196.452 -6.610  -1.279 1.262  H24 OIY 77  
OIY H25 H25 H 0 1 N N N 226.141 169.233 194.872 -7.649  0.508  -0.983 H25 OIY 78  
OIY H26 H26 H 0 1 N N N 224.908 167.926 194.892 -7.698  -1.271 -1.003 H26 OIY 79  
OIY H27 H27 H 0 1 N N N 226.651 167.048 192.890 -9.059  -1.257 1.070  H27 OIY 80  
OIY H28 H28 H 0 1 N N N 226.713 168.831 192.681 -9.009  0.522  1.091  H28 OIY 81  
OIY H29 H29 H 0 1 N N N 224.407 168.979 192.128 -10.143 0.579  -1.114 H29 OIY 82  
OIY H30 H30 H 0 1 N N N 224.009 167.424 192.934 -10.192 -1.200 -1.134 H30 OIY 83  
OIY H31 H31 H 0 1 N N N 224.889 165.531 188.933 -13.964 -1.121 1.081  H31 OIY 84  
OIY H32 H32 H 0 1 N N N 223.985 166.829 188.082 -13.915 0.658  1.101  H32 OIY 85  
OIY H33 H33 H 0 1 N N N 222.644 164.471 189.493 -15.003 0.666  -1.163 H33 OIY 86  
OIY H34 H34 H 0 1 N N N 224.236 163.928 187.511 -16.542 -0.917 0.941  H34 OIY 87  
OIY H35 H35 H 0 1 N N N 223.037 164.790 186.488 -16.315 0.848  0.971  H35 OIY 88  
OIY H36 H36 H 0 1 N N N 221.293 163.203 187.038 -17.431 1.029  -1.235 H36 OIY 89  
OIY H37 H37 H 0 1 N N N 222.281 162.468 188.346 -17.659 -0.736 -1.265 H37 OIY 90  
OIY H38 H38 H 0 1 N N N 223.872 161.563 186.675 -19.016 -0.596 0.804  H38 OIY 91  
OIY H39 H39 H 0 1 N N N 222.965 162.363 185.347 -18.789 1.169  0.835  H39 OIY 92  
OIY H40 H40 H 0 1 N N N 224.939 168.938 198.634 4.442   6.033  1.799  H40 OIY 93  
OIY H41 H41 H 0 1 N N N 223.641 163.645 200.197 4.767   2.097  -2.285 H41 OIY 94  
OIY H42 H42 H 0 1 N N N 226.965 162.568 201.072 5.881   -0.186 -1.411 H42 OIY 95  
OIY H43 H43 H 0 1 N N N 225.551 158.395 207.032 11.130  -4.795 -2.707 H43 OIY 96  
OIY H44 H44 H 0 1 N N N 226.374 159.643 206.158 9.481   -4.491 -2.816 H44 OIY 97  
OIY H45 H45 H 0 1 N N N 225.501 159.908 199.401 5.795   -1.661 2.184  H45 OIY 98  
OIY H46 H46 H 0 1 N N N 227.217 164.707 197.326 -2.664  -0.905 -0.749 H46 OIY 99  
OIY H47 H47 H 0 1 N N N 225.841 167.035 190.696 -11.402 -0.304 1.255  H47 OIY 100 
OIY H48 H48 H 0 1 N N N 222.364 160.071 185.590 -20.062 -0.315 -1.371 H48 OIY 101 
OIY H49 H49 H 0 1 N N N 221.907 160.296 187.141 -20.869 0.558  -0.208 H49 OIY 102 
OIY H51 H51 H 0 1 N N N 221.343 166.420 189.079 -14.353 -1.518 -1.857 H51 OIY 103 
OIY H52 H52 H 0 1 N N N 221.742 166.413 187.495 -15.259 -2.227 -0.656 H52 OIY 104 
OIY H54 H54 H 0 1 N N N 228.847 167.290 195.941 -5.704  0.783  2.039  H54 OIY 105 
OIY H55 H55 H 0 1 N N N 228.550 167.950 194.477 -6.354  1.614  0.754  H55 OIY 106 
OIY H57 H57 H 0 1 N N N 229.837 158.047 197.555 2.844   -2.875 -0.929 H57 OIY 107 
OIY H58 H58 H 0 1 N N N 228.990 158.670 196.305 1.939   -3.584 0.273  H58 OIY 108 
OIY H60 H60 H 0 1 N N N 221.495 163.099 205.095 12.159  0.710  -1.521 H60 OIY 109 
OIY H61 H61 H 0 1 N N N 222.846 158.706 201.334 8.963   -1.954 3.063  H61 OIY 110 
OIY H62 H62 H 0 1 N N N 224.051 164.064 197.149 4.852   5.831  -2.898 H62 OIY 111 
# 
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 
OIY N49 C48 SING N N 1   
OIY C48 C47 SING N N 2   
OIY C47 C46 SING N N 3   
OIY C46 C45 SING N N 4   
OIY N50 C45 SING N N 5   
OIY C45 C44 SING N N 6   
OIY C44 C42 SING N N 7   
OIY C42 O43 DOUB N N 8   
OIY C42 N41 SING N N 9   
OIY N41 C40 SING N N 10  
OIY C40 C39 SING N N 11  
OIY C39 C38 SING N N 12  
OIY C38 C37 SING N N 13  
OIY O35 C34 DOUB N N 14  
OIY C36 C34 SING N N 15  
OIY C36 C37 SING N N 16  
OIY C34 N33 SING N N 17  
OIY N51 C37 SING N N 18  
OIY N33 C32 SING N N 19  
OIY O53 C02 SING N N 20  
OIY N52 C29 SING N N 21  
OIY C30 C29 SING N N 22  
OIY C30 C31 SING N N 23  
OIY C32 C31 SING N N 24  
OIY C01 C02 SING N N 25  
OIY C01 N07 SING N N 26  
OIY C29 C28 SING N N 27  
OIY C02 C03 SING N N 28  
OIY C28 C26 SING N N 29  
OIY N07 C05 SING N N 30  
OIY C04 C03 SING N N 31  
OIY C04 C05 SING N N 32  
OIY C04 N08 SING N N 33  
OIY C03 N10 SING N N 34  
OIY C05 O06 DOUB N N 35  
OIY N08 C09 DOUB N N 36  
OIY N10 C09 SING N N 37  
OIY C26 N25 SING N N 38  
OIY C26 O27 DOUB N N 39  
OIY N25 C13 SING N N 40  
OIY C09 N11 SING N N 41  
OIY N11 C12 SING N N 42  
OIY O24 C14 SING N N 43  
OIY C12 C13 SING N N 44  
OIY C12 O17 SING N N 45  
OIY C13 C14 SING N N 46  
OIY C14 C15 SING N N 47  
OIY O17 C16 SING N N 48  
OIY C16 C15 SING N N 49  
OIY C16 C18 SING N N 50  
OIY C15 O20 SING N N 51  
OIY O19 C18 SING N N 52  
OIY O20 C21 SING N N 53  
OIY C21 O22 DOUB N N 54  
OIY C21 N23 SING N N 55  
OIY C12 H1  SING N N 56  
OIY C13 H2  SING N N 57  
OIY C14 H3  SING N N 58  
OIY C15 H4  SING N N 59  
OIY C16 H5  SING N N 60  
OIY C18 H6  SING N N 61  
OIY C18 H7  SING N N 62  
OIY C28 H8  SING N N 63  
OIY C28 H9  SING N N 64  
OIY C29 H10 SING N N 65  
OIY C30 H11 SING N N 66  
OIY C30 H12 SING N N 67  
OIY C31 H13 SING N N 68  
OIY C31 H14 SING N N 69  
OIY C32 H15 SING N N 70  
OIY C32 H16 SING N N 71  
OIY C01 H17 SING N N 72  
OIY C01 H18 SING N N 73  
OIY C02 H19 SING N N 74  
OIY C03 H20 SING N N 75  
OIY C04 H21 SING N N 76  
OIY C36 H22 SING N N 77  
OIY C36 H23 SING N N 78  
OIY C37 H24 SING N N 79  
OIY C38 H25 SING N N 80  
OIY C38 H26 SING N N 81  
OIY C39 H27 SING N N 82  
OIY C39 H28 SING N N 83  
OIY C40 H29 SING N N 84  
OIY C40 H30 SING N N 85  
OIY C44 H31 SING N N 86  
OIY C44 H32 SING N N 87  
OIY C45 H33 SING N N 88  
OIY C46 H34 SING N N 89  
OIY C46 H35 SING N N 90  
OIY C47 H36 SING N N 91  
OIY C47 H37 SING N N 92  
OIY C48 H38 SING N N 93  
OIY C48 H39 SING N N 94  
OIY N07 H40 SING N N 95  
OIY N10 H41 SING N N 96  
OIY N11 H42 SING N N 97  
OIY N23 H43 SING N N 98  
OIY N23 H44 SING N N 99  
OIY N25 H45 SING N N 100 
OIY N33 H46 SING N N 101 
OIY N41 H47 SING N N 102 
OIY N49 H48 SING N N 103 
OIY N49 H49 SING N N 104 
OIY N50 H51 SING N N 105 
OIY N50 H52 SING N N 106 
OIY N51 H54 SING N N 107 
OIY N51 H55 SING N N 108 
OIY N52 H57 SING N N 109 
OIY N52 H58 SING N N 110 
OIY O19 H60 SING N N 111 
OIY O24 H61 SING N N 112 
OIY O53 H62 SING N N 113 
# 
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 
OIY SMILES           ACDLabs              12.01 "NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O"                                                                                                                                                                                                                                                  
OIY InChI            InChI                1.03  "InChI=1S/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+/m0/s1" 
OIY InChIKey         InChI                1.03  WUJTXMVGXDQPNN-OTQKCRDJSA-N                                                                                                                                                                                                                                                                                                                   
OIY SMILES_CANONICAL CACTVS               3.385 "NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O"                                                                                                                                                                                                    
OIY SMILES           CACTVS               3.385 "NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O"                                                                                                                                                                                                                  
OIY SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)O"                                                                                                                                                                                             
OIY SMILES           "OpenEye OEToolkits" 2.0.7 "C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)O"                                                                                                                                                                                                                                             
# 
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 
OIY "SYSTEMATIC NAME" ACDLabs              12.01 "2-[(3S)-3-amino-6-{(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido}hexanamido]-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine"                                                                                                     
OIY "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-1,3~{a},5,6,7,7~{a}-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3~{S})-3-azanyl-6-[[(3~{S})-3-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-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 
OIY "Create component" 2022-05-03 RCSB 
OIY "Initial release"  2023-04-19 RCSB 
# 
