data_KIR
# 
_chem_comp.id                                    KIR 
_chem_comp.name                                  KIRROMYCIN 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 H60 N2 O12" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "MOCIMYCIN; DELVOMYCIN; MYC-8003" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-04-10 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        796.943 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     KIR 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "not provided" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_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 
KIR C2   C2   C 0 1 Y N N -15.604 -47.785 32.616 ? ? ? C2   KIR 1   
KIR C3   C3   C 0 1 Y N N -16.458 -48.928 32.711 ? ? ? C3   KIR 2   
KIR C4   C4   C 0 1 Y N N -16.676 -49.736 31.488 ? ? ? C4   KIR 3   
KIR C5   C5   C 0 1 Y N N -16.055 -49.359 30.271 ? ? ? C5   KIR 4   
KIR C6   C6   C 0 1 Y N N -15.225 -48.203 30.261 ? ? ? C6   KIR 5   
KIR C7   C7   C 0 1 N N N -17.081 -49.241 34.042 ? ? ? C7   KIR 6   
KIR C8   C8   C 0 1 N N N -18.562 -49.155 34.284 ? ? ? C8   KIR 7   
KIR C20  C20  C 0 1 N N S -25.599 -42.254 30.056 ? ? ? C20  KIR 8   
KIR C21  C21  C 0 1 N N N -25.351 -40.949 29.294 ? ? ? C21  KIR 9   
KIR C24  C24  C 0 1 N N N -22.536 -38.675 28.701 ? ? ? C24  KIR 10  
KIR C25  C25  C 0 1 N N N -22.063 -37.393 28.037 ? ? ? C25  KIR 11  
KIR O4   O4   O 0 1 N N N -17.468 -50.845 31.504 ? ? ? O4   KIR 12  
KIR O7   O7   O 0 1 N N N -16.322 -49.563 34.945 ? ? ? O7   KIR 13  
KIR C9   C9   C 0 1 N N N -19.396 -48.777 33.254 ? ? ? C9   KIR 14  
KIR C10  C10  C 0 1 N N N -20.839 -48.622 33.250 ? ? ? C10  KIR 15  
KIR C11  C11  C 0 1 N N N -21.360 -47.848 32.285 ? ? ? C11  KIR 16  
KIR C12  C12  C 0 1 N N N -22.801 -47.610 32.209 ? ? ? C12  KIR 17  
KIR C13  C13  C 0 1 N N N -23.301 -46.824 31.250 ? ? ? C13  KIR 18  
KIR C14  C14  C 0 1 N N R -24.795 -46.534 31.166 ? ? ? C14  KIR 19  
KIR C15  C15  C 0 1 N N R -25.565 -47.316 30.090 ? ? ? C15  KIR 20  
KIR C16  C16  C 0 1 N N S -26.494 -46.222 29.591 ? ? ? C16  KIR 21  
KIR C17  C17  C 0 1 N N S -25.957 -44.860 30.208 ? ? ? C17  KIR 22  
KIR C19  C19  C 0 1 N N R -25.621 -43.637 29.197 ? ? ? C19  KIR 23  
KIR C22  C22  C 0 1 N N N -24.116 -40.388 29.325 ? ? ? C22  KIR 24  
KIR C23  C23  C 0 1 N N N -23.788 -39.134 28.631 ? ? ? C23  KIR 25  
KIR O15  O15  O 0 1 N N N -24.714 -47.701 29.026 ? ? ? O15  KIR 26  
KIR N1   N1   N 0 1 Y N N -15.022 -47.465 31.397 ? ? ? N1   KIR 27  
KIR O2   O2   O 0 1 N N N -15.396 -47.083 33.665 ? ? ? O2   KIR 28  
KIR C41  C41  C 0 1 N N N -19.057 -49.492 35.669 ? ? ? C41  KIR 29  
KIR O16  O16  O 0 1 N N N -26.566 -46.194 28.130 ? ? ? O16  KIR 30  
KIR O18  O18  O 0 1 N N N -24.968 -45.110 30.857 ? ? ? O18  KIR 31  
KIR C42  C42  C 0 1 N N N -24.234 -43.872 28.495 ? ? ? C42  KIR 32  
KIR O20  O20  O 0 1 N N N -26.863 -42.043 30.723 ? ? ? O20  KIR 33  
KIR C43  C43  C 0 1 N N N -26.673 -41.677 32.118 ? ? ? C43  KIR 34  
KIR C44  C44  C 0 1 N N N -26.512 -40.299 28.525 ? ? ? C44  KIR 35  
KIR N26  N26  N 0 1 N N N -22.640 -37.126 26.731 ? ? ? N26  KIR 36  
KIR C27  C27  C 0 1 N N N -23.622 -36.135 26.548 ? ? ? C27  KIR 37  
KIR O27  O27  O 0 1 N N N -24.048 -35.451 27.496 ? ? ? O27  KIR 38  
KIR C45  C45  C 0 1 N N N -25.694 -35.618 25.208 ? ? ? C45  KIR 39  
KIR C46  C46  C 0 1 N N N -26.415 -36.901 25.302 ? ? ? C46  KIR 40  
KIR C28  C28  C 0 1 N N R -24.165 -35.917 25.181 ? ? ? C28  KIR 41  
KIR C29  C29  C 0 1 N N R -23.314 -34.741 24.440 ? ? ? C29  KIR 42  
KIR O29  O29  O 0 1 N N N -23.417 -33.555 25.267 ? ? ? O29  KIR 43  
KIR C30  C30  C 0 1 N N R -23.839 -34.394 23.017 ? ? ? C30  KIR 44  
KIR O30  O30  O 0 1 N N N -23.840 -35.336 22.327 ? ? ? O30  KIR 45  
KIR C31  C31  C 0 1 N N R -22.884 -33.298 22.438 ? ? ? C31  KIR 46  
KIR O31  O31  O 0 1 N N N -23.252 -32.872 21.134 ? ? ? O31  KIR 47  
KIR C32  C32  C 0 1 N N N -21.389 -33.797 22.399 ? ? ? C32  KIR 48  
KIR C47  C47  C 0 1 N N N -21.219 -34.981 21.424 ? ? ? C47  KIR 49  
KIR C48  C48  C 0 1 N N N -20.438 -32.745 21.835 ? ? ? C48  KIR 50  
KIR C33  C33  C 0 1 N N S -21.057 -34.220 23.881 ? ? ? C33  KIR 51  
KIR O34  O34  O 0 1 N N N -21.864 -35.042 24.418 ? ? ? O34  KIR 52  
KIR C35  C35  C 0 1 N N N -19.644 -34.786 24.066 ? ? ? C35  KIR 53  
KIR C36  C36  C 0 1 N N N -19.332 -35.950 24.704 ? ? ? C36  KIR 54  
KIR C37  C37  C 0 1 N N N -17.984 -36.419 24.833 ? ? ? C37  KIR 55  
KIR C38  C38  C 0 1 N N N -17.686 -37.585 25.477 ? ? ? C38  KIR 56  
KIR C39  C39  C 0 1 N N N -18.740 -38.505 26.129 ? ? ? C39  KIR 57  
KIR H51  1H5  H 0 1 N N N -16.214 -49.951 29.354 ? ? ? H51  KIR 58  
KIR H61  1H6  H 0 1 N N N -14.721 -47.867 29.339 ? ? ? H61  KIR 59  
KIR H201 1H20 H 0 0 N N N -24.729 -42.432 30.731 ? ? ? H201 KIR 60  
KIR H241 1H24 H 0 0 N N N -21.900 -39.347 29.301 ? ? ? H241 KIR 61  
KIR H251 1H25 H 0 0 N N N -20.950 -37.381 27.975 ? ? ? H251 KIR 62  
KIR H252 2H25 H 0 0 N N N -22.230 -36.524 28.716 ? ? ? H252 KIR 63  
KIR H41  1H4  H 0 1 N N N -17.608 -51.363 30.720 ? ? ? H41  KIR 64  
KIR H91  1H9  H 0 1 N N N -18.843 -48.574 32.322 ? ? ? H91  KIR 65  
KIR H101 1H10 H 0 0 N N N -21.531 -49.087 33.972 ? ? ? H101 KIR 66  
KIR H111 1H11 H 0 0 N N N -20.628 -47.422 31.578 ? ? ? H111 KIR 67  
KIR H121 1H12 H 0 0 N N N -23.541 -48.041 32.904 ? ? ? H121 KIR 68  
KIR H131 1H13 H 0 0 N N N -22.526 -46.437 30.568 ? ? ? H131 KIR 69  
KIR H141 1H14 H 0 0 N N N -25.211 -46.847 32.152 ? ? ? H141 KIR 70  
KIR H151 1H15 H 0 0 N N N -26.045 -48.251 30.461 ? ? ? H151 KIR 71  
KIR H161 1H16 H 0 0 N N N -27.544 -46.404 29.920 ? ? ? H161 KIR 72  
KIR H171 1H17 H 0 0 N N N -26.817 -44.472 30.802 ? ? ? H171 KIR 73  
KIR H191 1H19 H 0 0 N N N -26.399 -43.576 28.401 ? ? ? H191 KIR 74  
KIR H221 1H22 H 0 0 N N N -23.376 -40.953 29.916 ? ? ? H221 KIR 75  
KIR H231 1H23 H 0 0 N N N -24.496 -38.524 28.045 ? ? ? H231 KIR 76  
KIR HO51 1HO5 H 0 0 N N N -25.190 -48.184 28.361 ? ? ? HO51 KIR 77  
KIR H11  1H1  H 0 1 N N N -14.415 -46.647 31.333 ? ? ? H11  KIR 78  
KIR H411 1H41 H 0 0 N N N -18.522 -48.861 36.417 ? ? ? H411 KIR 79  
KIR H412 2H41 H 0 0 N N N -20.156 -49.428 35.849 ? ? ? H412 KIR 80  
KIR H413 3H41 H 0 0 N N N -18.693 -50.506 35.955 ? ? ? H413 KIR 81  
KIR HO61 1HO6 H 0 0 N N N -27.147 -45.510 27.818 ? ? ? HO61 KIR 82  
KIR H421 1H42 H 0 0 N N N -23.391 -43.851 29.225 ? ? ? H421 KIR 83  
KIR H422 2H42 H 0 0 N N N -24.249 -44.819 27.907 ? ? ? H422 KIR 84  
KIR H423 3H42 H 0 0 N N N -23.933 -43.000 27.869 ? ? ? H423 KIR 85  
KIR H431 1H43 H 0 0 N N N -26.004 -40.791 32.220 ? ? ? H431 KIR 86  
KIR H432 2H43 H 0 0 N N N -27.649 -41.514 32.633 ? ? ? H432 KIR 87  
KIR H433 3H43 H 0 0 N N N -26.048 -42.427 32.656 ? ? ? H433 KIR 88  
KIR H441 1H44 H 0 0 N N N -27.366 -40.147 29.226 ? ? ? H441 KIR 89  
KIR H442 2H44 H 0 0 N N N -26.331 -39.349 27.970 ? ? ? H442 KIR 90  
KIR H443 3H44 H 0 0 N N N -26.939 -41.050 27.820 ? ? ? H443 KIR 91  
KIR H261 1H26 H 0 0 N N N -22.344 -37.655 25.911 ? ? ? H261 KIR 92  
KIR H451 1H45 H 0 0 N N N -25.978 -34.906 26.017 ? ? ? H451 KIR 93  
KIR H452 2H45 H 0 0 N N N -26.026 -35.001 24.341 ? ? ? H452 KIR 94  
KIR H461 1H46 H 0 0 N N N -26.083 -37.518 26.170 ? ? ? H461 KIR 95  
KIR H462 2H46 H 0 0 N N N -27.509 -36.687 25.321 ? ? ? H462 KIR 96  
KIR H463 3H46 H 0 0 N N N -26.131 -37.613 24.493 ? ? ? H463 KIR 97  
KIR H281 1H28 H 0 0 N N N -24.050 -36.856 24.591 ? ? ? H281 KIR 98  
KIR H291 1H29 H 0 0 N N N -22.921 -32.869 24.835 ? ? ? H291 KIR 99  
KIR H301 1H30 H 0 0 N N N -24.891 -34.028 23.069 ? ? ? H301 KIR 100 
KIR HO01 1HO0 H 0 0 N N N -24.160 -35.124 21.458 ? ? ? HO01 KIR 101 
KIR H311 1H31 H 0 0 N N N -22.979 -32.430 23.131 ? ? ? H311 KIR 102 
KIR HO11 1HO1 H 0 0 N N N -22.672 -32.207 20.783 ? ? ? HO11 KIR 103 
KIR H471 1H47 H 0 0 N N N -21.593 -34.729 20.404 ? ? ? H471 KIR 104 
KIR H472 2H47 H 0 0 N N N -20.162 -35.334 21.396 ? ? ? H472 KIR 105 
KIR H473 3H47 H 0 0 N N N -21.922 -35.813 21.663 ? ? ? H473 KIR 106 
KIR H481 1H48 H 0 0 N N N -20.526 -31.784 22.393 ? ? ? H481 KIR 107 
KIR H482 2H48 H 0 0 N N N -19.381 -33.098 21.807 ? ? ? H482 KIR 108 
KIR H483 3H48 H 0 0 N N N -20.772 -32.399 20.829 ? ? ? H483 KIR 109 
KIR H331 1H33 H 0 0 N N N -21.157 -33.239 24.402 ? ? ? H331 KIR 110 
KIR H351 1H35 H 0 0 N N N -18.732 -34.291 23.691 ? ? ? H351 KIR 111 
KIR H361 1H36 H 0 0 N N N -20.180 -36.519 25.121 ? ? ? H361 KIR 112 
KIR H371 1H37 H 0 0 N N N -17.133 -35.854 24.416 ? ? ? H371 KIR 113 
KIR H381 1H38 H 0 0 N N N -16.601 -37.782 25.471 ? ? ? H381 KIR 114 
KIR H391 1H39 H 0 0 N N N -19.493 -38.748 25.343 ? ? ? H391 KIR 115 
KIR H392 2H39 H 0 0 N N N -18.497 -39.457 26.655 ? ? ? H392 KIR 116 
KIR H393 3H39 H 0 0 N N N -19.325 -37.878 26.841 ? ? ? H393 KIR 117 
# 
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 
KIR C2  C3   SING Y N 1   
KIR C2  N1   SING Y N 2   
KIR C2  O2   DOUB N N 3   
KIR C3  C4   DOUB Y N 4   
KIR C3  C7   SING N N 5   
KIR C4  C5   SING Y N 6   
KIR C4  O4   SING N N 7   
KIR C5  C6   DOUB Y N 8   
KIR C5  H51  SING N N 9   
KIR C6  N1   SING Y N 10  
KIR C6  H61  SING N N 11  
KIR C7  C8   SING N N 12  
KIR C7  O7   DOUB N N 13  
KIR C8  C9   DOUB N E 14  
KIR C8  C41  SING N N 15  
KIR C20 C21  SING N N 16  
KIR C20 C19  SING N N 17  
KIR C20 O20  SING N N 18  
KIR C20 H201 SING N N 19  
KIR C21 C22  DOUB N E 20  
KIR C21 C44  SING N N 21  
KIR C24 C25  SING N N 22  
KIR C24 C23  DOUB N E 23  
KIR C24 H241 SING N N 24  
KIR C25 N26  SING N N 25  
KIR C25 H251 SING N N 26  
KIR C25 H252 SING N N 27  
KIR O4  H41  SING N N 28  
KIR C9  C10  SING N N 29  
KIR C9  H91  SING N N 30  
KIR C10 C11  DOUB N E 31  
KIR C10 H101 SING N N 32  
KIR C11 C12  SING N N 33  
KIR C11 H111 SING N N 34  
KIR C12 C13  DOUB N E 35  
KIR C12 H121 SING N N 36  
KIR C13 C14  SING N N 37  
KIR C13 H131 SING N N 38  
KIR C14 C15  SING N N 39  
KIR C14 O18  SING N N 40  
KIR C14 H141 SING N N 41  
KIR C15 C16  SING N N 42  
KIR C15 O15  SING N N 43  
KIR C15 H151 SING N N 44  
KIR C16 C17  SING N N 45  
KIR C16 O16  SING N N 46  
KIR C16 H161 SING N N 47  
KIR C17 C19  SING N N 48  
KIR C17 O18  SING N N 49  
KIR C17 H171 SING N N 50  
KIR C19 C42  SING N N 51  
KIR C19 H191 SING N N 52  
KIR C22 C23  SING N N 53  
KIR C22 H221 SING N N 54  
KIR C23 H231 SING N N 55  
KIR O15 HO51 SING N N 56  
KIR N1  H11  SING N N 57  
KIR C41 H411 SING N N 58  
KIR C41 H412 SING N N 59  
KIR C41 H413 SING N N 60  
KIR O16 HO61 SING N N 61  
KIR C42 H421 SING N N 62  
KIR C42 H422 SING N N 63  
KIR C42 H423 SING N N 64  
KIR O20 C43  SING N N 65  
KIR C43 H431 SING N N 66  
KIR C43 H432 SING N N 67  
KIR C43 H433 SING N N 68  
KIR C44 H441 SING N N 69  
KIR C44 H442 SING N N 70  
KIR C44 H443 SING N N 71  
KIR N26 C27  SING N N 72  
KIR N26 H261 SING N N 73  
KIR C27 O27  DOUB N N 74  
KIR C27 C28  SING N N 75  
KIR C45 C46  SING N N 76  
KIR C45 C28  SING N N 77  
KIR C45 H451 SING N N 78  
KIR C45 H452 SING N N 79  
KIR C46 H461 SING N N 80  
KIR C46 H462 SING N N 81  
KIR C46 H463 SING N N 82  
KIR C28 C29  SING N N 83  
KIR C28 H281 SING N N 84  
KIR C29 O29  SING N N 85  
KIR C29 C30  SING N N 86  
KIR C29 O34  SING N N 87  
KIR O29 H291 SING N N 88  
KIR C30 O30  SING N N 89  
KIR C30 C31  SING N N 90  
KIR C30 H301 SING N N 91  
KIR O30 HO01 SING N N 92  
KIR C31 O31  SING N N 93  
KIR C31 C32  SING N N 94  
KIR C31 H311 SING N N 95  
KIR O31 HO11 SING N N 96  
KIR C32 C47  SING N N 97  
KIR C32 C48  SING N N 98  
KIR C32 C33  SING N N 99  
KIR C47 H471 SING N N 100 
KIR C47 H472 SING N N 101 
KIR C47 H473 SING N N 102 
KIR C48 H481 SING N N 103 
KIR C48 H482 SING N N 104 
KIR C48 H483 SING N N 105 
KIR C33 O34  SING N N 106 
KIR C33 C35  SING N N 107 
KIR C33 H331 SING N N 108 
KIR C35 C36  DOUB N E 109 
KIR C35 H351 SING N N 110 
KIR C36 C37  SING N N 111 
KIR C36 H361 SING N N 112 
KIR C37 C38  DOUB N Z 113 
KIR C37 H371 SING N N 114 
KIR C38 C39  SING N N 115 
KIR C38 H381 SING N N 116 
KIR C39 H391 SING N N 117 
KIR C39 H392 SING N N 118 
KIR C39 H393 SING N N 119 
# 
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 
KIR SMILES           ACDLabs              10.04 O=C1NC=CC(O)=C1C(=O)\C(=C\C=C\C=C\C2OC(C(O)C2O)C(C)C(OC)C(=C\C=C\CNC(=O)C(CC)C3(O)OC(\C=C\C=C/C)C(C(O)C3O)(C)C)\C)C 
KIR InChI            InChI                1.02b 
;InChI=1/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1/f/h44-46H
;
KIR InChIKey         InChI                1.02b HMSYAPGFKGSXAJ-NRDMSFPHDN 
KIR SMILES_CANONICAL CACTVS               3.341 CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](/C=C/C=C/C=C(C)/C(=O)C2=C(O)C=CNC2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]3O 
KIR SMILES           CACTVS               3.341 CC[CH](C(=O)NCC=CC=C(C)[CH](OC)[CH](C)[CH]1O[CH](C=CC=CC=C(C)C(=O)C2=C(O)C=CNC2=O)[CH](O)[CH]1O)[C]3(O)O[CH](C=CC=CC)C(C)(C)[CH](O)[CH]3O 
KIR SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CNC2=O)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O 
KIR SMILES           "OpenEye OEToolkits" 1.5.0 CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CNC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)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 
KIR "SYSTEMATIC NAME" ACDLabs              10.04 
;(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name)
;
KIR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-2-oxo-1H-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide
;
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