data_A1H71
# 
_chem_comp.id                                    A1H71 
_chem_comp.name                                  "sybactin derivative" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H49 N5 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "~{N}-[(2~{S},3~{R})-1-[[(4~{R},5~{S},8~{S})-4-[(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl]oxy-2,7-bis(oxidanylidene)-5-(phenylmethyl)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]hexanamide" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-04-10 
_chem_comp.pdbx_modified_date                    2025-02-14 
_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                        603.750 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1H71 
_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        9EY9 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_chem_comp.pdbx_pcm                              Y 
# 
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 
A1H71 C5  C1  C 0 1 N N N N N N 59.532 -139.300 41.309 4.280   4.417  -0.860 C5  A1H71 1  
A1H71 C6  C2  C 0 1 N N N N N N 59.095 -138.976 39.913 2.960   4.725  -0.151 C6  A1H71 2  
A1H71 C7  C3  C 0 1 N N N N N N 59.610 -137.614 39.536 1.809   4.047  -0.898 C7  A1H71 3  
A1H71 C8  C4  C 0 1 N N N N N N 61.012 -137.723 39.052 0.688   3.711  0.087  C8  A1H71 4  
A1H71 C15 C5  C 0 1 N N N N N N 58.496 -134.499 33.602 -6.428  -0.726 -0.966 C15 A1H71 5  
A1H71 C17 C6  C 0 1 N N N N N N 56.546 -133.923 34.988 -8.757  -1.452 -1.506 C17 A1H71 6  
A1H71 C21 C7  C 0 1 N N R N N N 63.061 -134.822 35.231 -3.225  0.586  1.939  C21 A1H71 7  
A1H71 C28 C8  C 0 1 N N S N N N 63.575 -136.227 42.128 2.561   -0.560 0.019  C28 A1H71 8  
A1H71 C19 C9  C 0 1 N N N N N N 54.199 -133.975 34.231 -11.086 -2.178 -2.046 C19 A1H71 9  
A1H71 C18 C10 C 0 1 N N N N N N 55.139 -134.325 35.370 -10.240 -1.196 -1.233 C18 A1H71 10 
A1H71 C16 C11 C 0 1 N N N N N N 57.094 -134.913 33.991 -7.911  -0.470 -0.693 C16 A1H71 11 
A1H71 C14 C12 C 0 1 N N N N N N 59.462 -135.256 34.472 -5.595  0.242  -0.166 C14 A1H71 12 
A1H71 O20 O1  O 0 1 N N N N N N 59.103 -136.259 35.056 -6.135  1.056  0.552  O20 A1H71 13 
A1H71 N13 N1  N 0 1 N N N N N N 60.677 -134.744 34.574 -4.250  0.202  -0.248 N13 A1H71 14 
A1H71 C12 C13 C 0 1 N N S N N N 61.673 -135.423 35.378 -3.441  1.143  0.530  C12 A1H71 15 
A1H71 C23 C14 C 0 1 N N N N N N 63.074 -133.719 34.202 -2.528  1.640  2.802  C23 A1H71 16 
A1H71 O22 O2  O 0 1 N N N N N N 63.498 -134.324 36.456 -4.488  0.254  2.519  O22 A1H71 17 
A1H71 C11 C15 C 0 1 N N N N N N 61.186 -135.511 36.803 -2.107  1.335  -0.144 C11 A1H71 18 
A1H71 O24 O3  O 0 1 N N N N N N 60.084 -135.117 37.117 -1.845  0.720  -1.156 O24 A1H71 19 
A1H71 N10 N2  N 0 1 N N N N N N 62.007 -136.122 37.628 -1.205  2.190  0.377  N10 A1H71 20 
A1H71 C9  C16 C 0 1 N N S N N N 61.624 -136.377 39.005 0.114   2.332  -0.244 C9  A1H71 21 
A1H71 C25 C17 C 0 1 N N N N N N 62.708 -136.407 39.838 1.037   1.264  0.285  C25 A1H71 22 
A1H71 O26 O4  O 0 1 N N N N N N 63.851 -136.581 39.445 1.215   1.129  1.477  O26 A1H71 23 
A1H71 N27 N3  N 0 1 N N N N N N 62.475 -136.267 41.178 1.671   0.447  -0.621 N27 A1H71 24 
A1H71 N4  N4  N 0 1 N N N N N N 60.970 -139.058 41.431 4.860   3.190  -0.268 N4  A1H71 25 
A1H71 C3  C18 C 0 1 N N N N N N 61.579 -138.724 42.632 4.174   2.036  -0.529 C3  A1H71 26 
A1H71 O37 O5  O 0 1 N N N N N N 60.927 -138.675 43.666 3.166   2.055  -1.204 O37 A1H71 27 
A1H71 C2  C19 C 0 1 N N N N N N 62.945 -138.527 42.624 4.694   0.741  0.039  C2  A1H71 28 
A1H71 C1  C20 C 0 1 N N R N N N 63.342 -137.213 43.202 3.953   -0.433 -0.604 C1  A1H71 29 
A1H71 OG1 O6  O 0 1 N N N N N N 64.567 -137.374 43.865 4.686   -1.639 -0.383 OG1 A1H71 30 
A1H71 CB  C21 C 0 1 N N R N N N 64.295 -138.154 45.009 5.641   -1.934 -1.405 CB  A1H71 31 
A1H71 CG2 C22 C 0 1 N N N N N N 63.929 -137.231 46.148 4.978   -2.783 -2.492 CG2 A1H71 32 
A1H71 CA  C23 C 0 1 N N S N N N 65.532 -138.927 45.389 6.814   -2.707 -0.799 CA  A1H71 33 
A1H71 C   C24 C 0 1 N N N N N N 65.456 -139.266 46.842 7.389   -1.925 0.354  C   A1H71 34 
A1H71 O   O7  O 0 1 N N N N N N 64.416 -139.678 47.336 7.406   -2.405 1.461  O   A1H71 35 
A1H71 N   N5  N 0 1 N N N N N N 65.573 -140.201 44.679 6.343   -4.013 -0.317 N   A1H71 36 
A1H71 C29 C25 C 0 1 N N N N N N 63.572 -134.868 42.826 2.012   -1.967 -0.228 C29 A1H71 37 
A1H71 C30 C26 C 0 1 Y N N N N N 64.386 -133.916 42.226 0.697   -2.126 0.491  C30 A1H71 38 
A1H71 C35 C27 C 0 1 Y N N N N N 64.140 -132.582 42.454 -0.485  -1.803 -0.148 C35 A1H71 39 
A1H71 C34 C28 C 0 1 Y N N N N N 64.934 -131.614 41.878 -1.690  -1.948 0.512  C34 A1H71 40 
A1H71 C33 C29 C 0 1 Y N N N N N 65.984 -131.975 41.067 -1.714  -2.418 1.812  C33 A1H71 41 
A1H71 C32 C30 C 0 1 Y N N N N N 66.243 -133.305 40.836 -0.532  -2.742 2.451  C32 A1H71 42 
A1H71 C31 C31 C 0 1 Y N N N N N 65.443 -134.271 41.417 0.673   -2.602 1.789  C31 A1H71 43 
A1H71 H1  H1  H 0 1 N N N N N N 58.990 -138.662 42.022 4.096   4.260  -1.923 H1  A1H71 44 
A1H71 H2  H2  H 0 1 N N N N N N 59.317 -140.357 41.526 4.972   5.249  -0.728 H2  A1H71 45 
A1H71 H3  H3  H 0 1 N N N N N N 57.996 -138.981 39.861 3.000   4.349  0.872  H3  A1H71 46 
A1H71 H4  H4  H 0 1 N N N N N N 59.498 -139.727 39.218 2.798   5.803  -0.135 H4  A1H71 47 
A1H71 H5  H5  H 0 1 N N N N N N 59.577 -136.955 40.416 1.428   4.720  -1.666 H5  A1H71 48 
A1H71 H6  H6  H 0 1 N N N N N N 58.980 -137.193 38.739 2.170   3.130  -1.365 H6  A1H71 49 
A1H71 H7  H7  H 0 1 N N N N N N 61.019 -138.164 38.044 1.086   3.704  1.102  H7  A1H71 50 
A1H71 H8  H8  H 0 1 N N N N N N 61.587 -138.364 39.737 -0.099  4.460  0.011  H8  A1H71 51 
A1H71 H9  H9  H 0 1 N N N N N N 58.677 -134.741 32.544 -6.176  -1.747 -0.678 H9  A1H71 52 
A1H71 H10 H10 H 0 1 N N N N N N 58.622 -133.417 33.757 -6.225  -0.589 -2.028 H10 A1H71 53 
A1H71 H11 H11 H 0 1 N N N N N N 57.182 -133.915 35.885 -8.505  -2.473 -1.217 H11 A1H71 54 
A1H71 H12 H12 H 0 1 N N N N N N 56.532 -132.919 34.539 -8.554  -1.315 -2.568 H12 A1H71 55 
A1H71 H13 H13 H 0 1 N N N N N N 63.741 -135.617 34.890 -2.603  -0.308 1.885  H13 A1H71 56 
A1H71 H14 H14 H 0 1 N N N N N N 64.542 -136.401 41.633 2.620   -0.372 1.091  H14 A1H71 57 
A1H71 H15 H15 H 0 1 N N N N N N 53.172 -134.264 34.500 -10.834 -3.199 -1.757 H15 A1H71 58 
A1H71 H16 H16 H 0 1 N N N N N N 54.238 -132.892 34.044 -12.142 -1.995 -1.851 H16 A1H71 59 
A1H71 H17 H17 H 0 1 N N N N N N 54.506 -134.515 33.323 -10.882 -2.041 -3.108 H17 A1H71 60 
A1H71 H18 H18 H 0 1 N N N N N N 54.835 -133.785 36.279 -10.443 -1.333 -0.171 H18 A1H71 61 
A1H71 H19 H19 H 0 1 N N N N N N 55.103 -135.408 35.558 -10.491 -0.175 -1.522 H19 A1H71 62 
A1H71 H20 H20 H 0 1 N N N N N N 56.453 -134.929 33.097 -8.114  -0.607 0.369  H20 A1H71 63 
A1H71 H21 H21 H 0 1 N N N N N N 57.118 -135.916 34.443 -8.162  0.551  -0.982 H21 A1H71 64 
A1H71 H22 H22 H 0 1 N N N N N N 60.907 -133.894 34.100 -3.819  -0.450 -0.822 H22 A1H71 65 
A1H71 H23 H23 H 0 1 N N N N N N 61.741 -136.456 35.007 -3.957  2.101  0.593  H23 A1H71 66 
A1H71 H24 H24 H 0 1 N N N N N N 64.090 -133.306 34.119 -3.095  2.570  2.767  H24 A1H71 67 
A1H71 H25 H25 H 0 1 N N N N N N 62.762 -134.123 33.228 -2.473  1.287  3.832  H25 A1H71 68 
A1H71 H26 H26 H 0 1 N N N N N N 62.379 -132.924 34.508 -1.521  1.813  2.423  H26 A1H71 69 
A1H71 H27 H27 H 0 1 N N N N N N 63.489 -135.020 37.103 -4.986  -0.410 2.023  H27 A1H71 70 
A1H71 H28 H28 H 0 1 N N N N N N 62.906 -136.415 37.303 -1.429  2.711  1.164  H28 A1H71 71 
A1H71 H29 H29 H 0 1 N N N N N N 60.890 -135.627 39.335 0.020   2.228  -1.325 H29 A1H71 72 
A1H71 H30 H30 H 0 1 N N N N N N 61.535 -136.191 41.509 1.550   0.519  -1.580 H30 A1H71 73 
A1H71 H31 H31 H 0 1 N N N N N N 61.539 -139.137 40.612 5.669   3.203  0.266  H31 A1H71 74 
A1H71 H32 H32 H 0 1 N N N N N N 63.419 -139.327 43.212 5.761   0.655  -0.170 H32 A1H71 75 
A1H71 H33 H33 H 0 1 N N N N N N 63.301 -138.576 41.584 4.533   0.725  1.117  H33 A1H71 76 
A1H71 H34 H34 H 0 1 N N N N N N 62.561 -136.851 43.887 3.856   -0.258 -1.676 H34 A1H71 77 
A1H71 H35 H35 H 0 1 N N N N N N 63.467 -138.853 44.821 6.005   -1.004 -1.841 H35 A1H71 78 
A1H71 H36 H36 H 0 1 N N N N N N 63.714 -137.826 47.048 4.142   -2.232 -2.924 H36 A1H71 79 
A1H71 H37 H37 H 0 1 N N N N N N 64.768 -136.549 46.351 5.706   -3.008 -3.271 H37 A1H71 80 
A1H71 H38 H38 H 0 1 N N N N N N 63.039 -136.646 45.874 4.613   -3.713 -2.055 H38 A1H71 81 
A1H71 H39 H39 H 0 1 N N N N N N 66.433 -138.331 45.180 7.582   -2.855 -1.557 H39 A1H71 82 
A1H71 H40 H40 H 0 1 N N N N N N 66.331 -139.146 47.464 7.787   -0.934 0.188  H40 A1H71 83 
A1H71 H41 H41 H 0 1 N N N N N N 66.398 -140.702 44.940 7.110   -4.569 0.029  H41 A1H71 84 
A1H71 H42 H42 H 0 1 N N N N N N 64.765 -140.741 44.916 5.629   -3.903 0.388  H42 A1H71 85 
A1H71 H44 H44 H 0 1 N N N N N N 62.541 -134.486 42.831 1.861   -2.115 -1.298 H44 A1H71 86 
A1H71 H45 H45 H 0 1 N N N N N N 63.915 -135.012 43.861 2.722   -2.705 0.144  H45 A1H71 87 
A1H71 H46 H46 H 0 1 N N N N N N 63.317 -132.291 43.090 -0.466  -1.435 -1.164 H46 A1H71 88 
A1H71 H47 H47 H 0 1 N N N N N N 64.731 -130.570 42.064 -2.614  -1.695 0.012  H47 A1H71 89 
A1H71 H48 H48 H 0 1 N N N N N N 66.603 -131.216 40.613 -2.656  -2.532 2.328  H48 A1H71 90 
A1H71 H49 H49 H 0 1 N N N N N N 67.069 -133.594 40.203 -0.551  -3.108 3.467  H49 A1H71 91 
A1H71 H50 H50 H 0 1 N N N N N N 65.649 -135.315 41.235 1.597   -2.854 2.289  H50 A1H71 92 
# 
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 
A1H71 C15 C16 SING N N 1  
A1H71 C15 C14 SING N N 2  
A1H71 C16 C17 SING N N 3  
A1H71 C23 C21 SING N N 4  
A1H71 C19 C18 SING N N 5  
A1H71 C14 N13 SING N N 6  
A1H71 C14 O20 DOUB N N 7  
A1H71 N13 C12 SING N N 8  
A1H71 C17 C18 SING N N 9  
A1H71 C21 C12 SING N N 10 
A1H71 C21 O22 SING N N 11 
A1H71 C12 C11 SING N N 12 
A1H71 C11 O24 DOUB N N 13 
A1H71 C11 N10 SING N N 14 
A1H71 N10 C9  SING N N 15 
A1H71 C9  C8  SING N N 16 
A1H71 C9  C25 SING N N 17 
A1H71 C8  C7  SING N N 18 
A1H71 O26 C25 DOUB N N 19 
A1H71 C7  C6  SING N N 20 
A1H71 C25 N27 SING N N 21 
A1H71 C6  C5  SING N N 22 
A1H71 C32 C33 DOUB Y N 23 
A1H71 C32 C31 SING Y N 24 
A1H71 C33 C34 SING Y N 25 
A1H71 N27 C28 SING N N 26 
A1H71 C5  N4  SING N N 27 
A1H71 C31 C30 DOUB Y N 28 
A1H71 N4  C3  SING N N 29 
A1H71 C34 C35 DOUB Y N 30 
A1H71 C28 C29 SING N N 31 
A1H71 C28 C1  SING N N 32 
A1H71 C30 C35 SING Y N 33 
A1H71 C30 C29 SING N N 34 
A1H71 C2  C3  SING N N 35 
A1H71 C2  C1  SING N N 36 
A1H71 C3  O37 DOUB N N 37 
A1H71 C1  OG1 SING N N 38 
A1H71 OG1 CB  SING N N 39 
A1H71 N   CA  SING N N 40 
A1H71 CB  CA  SING N N 41 
A1H71 CB  CG2 SING N N 42 
A1H71 CA  C   SING N N 43 
A1H71 C   O   DOUB N N 44 
A1H71 C5  H1  SING N N 45 
A1H71 C5  H2  SING N N 46 
A1H71 C6  H3  SING N N 47 
A1H71 C6  H4  SING N N 48 
A1H71 C7  H5  SING N N 49 
A1H71 C7  H6  SING N N 50 
A1H71 C8  H7  SING N N 51 
A1H71 C8  H8  SING N N 52 
A1H71 C15 H9  SING N N 53 
A1H71 C15 H10 SING N N 54 
A1H71 C17 H11 SING N N 55 
A1H71 C17 H12 SING N N 56 
A1H71 C21 H13 SING N N 57 
A1H71 C28 H14 SING N N 58 
A1H71 C19 H15 SING N N 59 
A1H71 C19 H16 SING N N 60 
A1H71 C19 H17 SING N N 61 
A1H71 C18 H18 SING N N 62 
A1H71 C18 H19 SING N N 63 
A1H71 C16 H20 SING N N 64 
A1H71 C16 H21 SING N N 65 
A1H71 N13 H22 SING N N 66 
A1H71 C12 H23 SING N N 67 
A1H71 C23 H24 SING N N 68 
A1H71 C23 H25 SING N N 69 
A1H71 C23 H26 SING N N 70 
A1H71 O22 H27 SING N N 71 
A1H71 N10 H28 SING N N 72 
A1H71 C9  H29 SING N N 73 
A1H71 N27 H30 SING N N 74 
A1H71 N4  H31 SING N N 75 
A1H71 C2  H32 SING N N 76 
A1H71 C2  H33 SING N N 77 
A1H71 C1  H34 SING N N 78 
A1H71 CB  H35 SING N N 79 
A1H71 CG2 H36 SING N N 80 
A1H71 CG2 H37 SING N N 81 
A1H71 CG2 H38 SING N N 82 
A1H71 CA  H39 SING N N 83 
A1H71 C   H40 SING N N 84 
A1H71 N   H41 SING N N 85 
A1H71 N   H42 SING N N 86 
A1H71 C29 H44 SING N N 87 
A1H71 C29 H45 SING N N 88 
A1H71 C35 H46 SING N N 89 
A1H71 C34 H47 SING N N 90 
A1H71 C33 H48 SING N N 91 
A1H71 C32 H49 SING N N 92 
A1H71 C31 H50 SING N N 93 
# 
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 
A1H71 InChI            InChI                1.06  "InChI=1S/C31H49N5O7/c1-4-5-7-15-27(39)36-29(20(2)38)31(42)34-24-14-10-11-16-33-28(40)18-26(43-21(3)23(32)19-37)25(35-30(24)41)17-22-12-8-6-9-13-22/h6,8-9,12-13,19-21,23-26,29,38H,4-5,7,10-11,14-18,32H2,1-3H3,(H,33,40)(H,34,42)(H,35,41)(H,36,39)/t20-,21-,23-,24+,25+,26-,29+/m1/s1" 
A1H71 InChIKey         InChI                1.06  HOEOOAXICHBHHS-QBMMHFALSA-N                                                                                                                                                                                                                                                               
A1H71 SMILES_CANONICAL CACTVS               3.385 "CCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](O[C@H](C)[C@H](N)C=O)[C@H](Cc2ccccc2)NC1=O"                                                                                                                                                                                   
A1H71 SMILES           CACTVS               3.385 "CCCCCC(=O)N[CH]([CH](C)O)C(=O)N[CH]1CCCCNC(=O)C[CH](O[CH](C)[CH](N)C=O)[CH](Cc2ccccc2)NC1=O"                                                                                                                                                                                             
A1H71 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1CCCCNC(=O)C[C@H]([C@@H](NC1=O)Cc2ccccc2)O[C@H](C)[C@@H](C=O)N"                                                                                                                                                                                  
A1H71 SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCC(=O)NC(C(C)O)C(=O)NC1CCCCNC(=O)CC(C(NC1=O)Cc2ccccc2)OC(C)C(C=O)N"                                                                                                                                                                                                                  
# 
_pdbx_chem_comp_identifier.comp_id           A1H71 
_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~{S},3~{R})-1-[[(4~{R},5~{S},8~{S})-4-[(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl]oxy-2,7-bis(oxidanylidene)-5-(phenylmethyl)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]hexanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1H71 "Create component" 2024-04-10 PDBE 
A1H71 "Modify PCM"       2024-09-27 PDBE 
A1H71 "Initial release"  2025-02-19 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1H71 
_pdbx_chem_comp_synonyms.name         "~{N}-[(2~{S},3~{R})-1-[[(4~{R},5~{S},8~{S})-4-[(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl]oxy-2,7-bis(oxidanylidene)-5-(phenylmethyl)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]hexanamide" 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1H71 
_pdbx_chem_comp_pcm.modified_residue_id                THR 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               N-terminal 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   N 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
