data_ZYF # _chem_comp.id ZYF _chem_comp.name "(9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C37 H53 N5 O12" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-10-26 _chem_comp.pdbx_modified_date 2011-09-30 _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 759.843 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ZYF _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 3PED _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 ZYF O2 O2 O 0 1 N N N 9.086 0.174 -9.716 8.624 -0.701 0.211 O2 ZYF 1 ZYF C3 C3 C 0 1 Y N N 8.698 -0.075 -8.542 8.933 -1.937 0.679 C3 ZYF 2 ZYF C4 C4 C 0 1 Y N N 9.412 -1.056 -7.820 10.006 -2.108 1.540 C4 ZYF 3 ZYF C5 C5 C 0 1 Y N N 9.042 -1.382 -6.505 10.319 -3.366 2.015 C5 ZYF 4 ZYF C6 C6 C 0 1 Y N N 7.959 -0.723 -5.904 9.565 -4.464 1.637 C6 ZYF 5 ZYF C7 C7 C 0 1 Y N N 7.243 0.254 -6.619 8.494 -4.312 0.782 C7 ZYF 6 ZYF C8 C8 C 0 1 Y N N 7.588 0.600 -7.953 8.164 -3.045 0.300 C8 ZYF 7 ZYF C10 C10 C 0 1 N N N 6.851 1.576 -8.642 7.014 -2.873 -0.612 C10 ZYF 8 ZYF N11 N11 N 0 1 N N N 5.817 2.182 -8.188 6.661 -1.724 -1.099 N11 ZYF 9 ZYF C12 C12 C 0 1 N N S 5.303 3.095 -9.090 5.476 -1.924 -1.956 C12 ZYF 10 ZYF C13 C13 C 0 1 N N N 6.280 2.882 -10.266 5.011 -3.340 -1.538 C13 ZYF 11 ZYF O14 O14 O 0 1 N N N 7.113 1.971 -9.779 6.238 -3.899 -1.020 O14 ZYF 12 ZYF C15 C15 C 0 1 N N N 3.901 2.869 -9.419 4.414 -0.898 -1.654 C15 ZYF 13 ZYF O16 O16 O 0 1 N N N 3.148 3.835 -9.446 4.442 -0.285 -0.608 O16 ZYF 14 ZYF N17 N17 N 0 1 N N N 3.488 1.663 -9.698 3.433 -0.662 -2.547 N17 ZYF 15 ZYF C18 C18 C 0 1 N N S 2.192 1.210 -10.004 2.400 0.336 -2.254 C18 ZYF 16 ZYF C19 C19 C 0 1 N N N 1.782 1.618 -11.350 3.045 1.683 -2.057 C19 ZYF 17 ZYF O20 O20 O 0 1 N N N 1.439 2.776 -11.538 4.221 1.757 -1.791 O20 ZYF 18 ZYF O21 O21 O 0 1 N N N 1.722 0.908 -12.375 2.313 2.802 -2.176 O21 ZYF 19 ZYF C22 C22 C 0 1 N N S 2.218 -0.284 -12.774 3.000 4.064 -1.972 C22 ZYF 20 ZYF C25 C25 C 0 1 N N N 1.589 -1.561 -12.120 2.018 5.095 -1.411 C25 ZYF 21 ZYF C27 C27 C 0 1 N N N 0.156 -1.473 -11.886 1.564 4.662 -0.041 C27 ZYF 22 ZYF O28 O28 O 0 1 N N N -0.262 -0.770 -10.977 1.985 3.632 0.440 O28 ZYF 23 ZYF N29 N29 N 0 1 N N N -0.700 -2.141 -12.605 0.691 5.421 0.650 N29 ZYF 24 ZYF C30 C30 C 0 1 N N S -1.778 -1.550 -13.295 0.250 5.001 1.983 C30 ZYF 25 ZYF C31 C31 C 0 1 N N N -1.224 -0.918 -14.617 -0.383 6.188 2.713 C31 ZYF 26 ZYF C32 C32 C 0 1 N N N -2.185 -0.757 -15.829 -1.129 7.082 1.740 C32 ZYF 27 ZYF C33 C33 C 0 1 N N N -3.631 -0.312 -15.483 -2.352 6.431 1.122 C33 ZYF 28 ZYF C34 C34 C 0 1 N N N -4.513 -1.472 -14.942 -1.950 5.275 0.205 C34 ZYF 29 ZYF N35 N35 N 0 1 N N N -4.097 -1.970 -13.696 -1.817 4.054 1.015 N35 ZYF 30 ZYF O36 O36 O 0 1 N N N -4.897 -1.921 -12.701 -2.787 3.027 0.906 O36 ZYF 31 ZYF C37 C37 C 0 1 N N N -2.908 -2.459 -13.488 -0.789 3.907 1.853 C37 ZYF 32 ZYF O38 O38 O 0 1 N N N -2.784 -3.675 -13.424 -0.687 2.895 2.513 O38 ZYF 33 ZYF C39 C39 C 0 1 N N N 1.106 1.513 -8.914 1.653 -0.064 -0.980 C39 ZYF 34 ZYF C40 C40 C 0 1 N N N 1.378 0.791 -7.563 0.895 -1.371 -1.222 C40 ZYF 35 ZYF C41 C41 C 0 1 N N N 0.259 1.008 -6.504 0.148 -1.770 0.052 C41 ZYF 36 ZYF C42 C42 C 0 1 N N N 0.516 0.235 -5.178 -0.609 -3.078 -0.190 C42 ZYF 37 ZYF N43 N43 N 0 1 N N N -0.534 0.358 -4.234 -1.325 -3.460 1.030 N43 ZYF 38 ZYF O44 O44 O 0 1 N N N -0.777 1.532 -3.793 -0.837 -4.518 1.835 O44 ZYF 39 ZYF C45 C45 C 0 1 N N N -1.258 -0.624 -3.743 -2.448 -2.805 1.385 C45 ZYF 40 ZYF O46 O46 O 0 1 N N N -2.454 -0.454 -3.531 -2.867 -1.897 0.694 O46 ZYF 41 ZYF C47 C47 C 0 1 N N N -0.742 -1.838 -3.431 -3.167 -3.189 2.610 C47 ZYF 42 ZYF C48 C48 C 0 1 N N N -0.576 -2.329 -2.190 -4.350 -2.648 2.884 C48 ZYF 43 ZYF C49 C49 C 0 1 N N N -0.918 -1.670 -0.936 -5.113 -1.919 1.807 C49 ZYF 44 ZYF C50 C50 C 0 1 N N N -2.254 -2.227 -0.372 -6.543 -2.458 1.742 C50 ZYF 45 ZYF C51 C51 C 0 1 N N N -2.625 -1.645 1.018 -7.317 -1.719 0.649 C51 ZYF 46 ZYF C52 C52 C 0 1 N N N -4.007 -2.142 1.524 -8.748 -2.258 0.583 C52 ZYF 47 ZYF C53 C53 C 0 1 N N N -4.439 -1.463 2.852 -9.522 -1.518 -0.510 C53 ZYF 48 ZYF O53 O53 O 0 1 N N N -8.538 -1.531 4.704 -14.002 -1.345 -2.626 O53 ZYF 49 ZYF C54 C54 C 0 1 N N N -5.804 -1.986 3.372 -10.952 -2.057 -0.576 C54 ZYF 50 ZYF O54 O54 O 0 1 N N N -7.518 -2.677 6.137 -13.484 -2.729 -0.983 O54 ZYF 51 ZYF C55 C55 C 0 1 N N N -6.212 -1.356 4.732 -11.726 -1.318 -1.669 C55 ZYF 52 ZYF C56 C56 C 0 1 N N N 3.773 -0.313 -12.748 3.556 4.564 -3.308 C56 ZYF 53 ZYF C57 C57 C 0 1 N N N -7.477 -1.876 5.214 -13.135 -1.849 -1.734 C57 ZYF 54 ZYF HO2 HO2 H 0 1 N N N 8.532 0.845 -10.097 9.069 -0.472 -0.617 HO2 ZYF 55 ZYF H4 H4 H 0 1 N N N 10.248 -1.559 -8.282 10.598 -1.255 1.839 H4 ZYF 56 ZYF H5 H5 H 0 1 N N N 9.589 -2.137 -5.959 11.156 -3.494 2.685 H5 ZYF 57 ZYF H6 H6 H 0 1 N N N 7.675 -0.966 -4.891 9.817 -5.445 2.013 H6 ZYF 58 ZYF H7 H7 H 0 1 N N N 6.412 0.753 -6.143 7.909 -5.171 0.490 H7 ZYF 59 ZYF H12 H12 H 0 1 N N N 5.256 4.132 -8.726 5.750 -1.900 -3.011 H12 ZYF 60 ZYF H13 H13 H 0 1 N N N 5.764 2.526 -11.170 4.244 -3.288 -0.765 H13 ZYF 61 ZYF H13A H13A H 0 0 N N N 6.801 3.811 -10.541 4.659 -3.907 -2.399 H13A ZYF 62 ZYF HN17 HN17 H 0 0 N N N 4.197 0.958 -9.694 3.410 -1.152 -3.384 HN17 ZYF 63 ZYF H18 H18 H 0 1 N N N 2.263 0.112 -9.995 1.698 0.387 -3.086 H18 ZYF 64 ZYF H22 H22 H 0 1 N N N 1.886 -0.353 -13.821 3.820 3.923 -1.268 H22 ZYF 65 ZYF H25 H25 H 0 1 N N N 1.769 -2.410 -12.796 2.510 6.065 -1.342 H25 ZYF 66 ZYF H25A H25A H 0 0 N N N 2.080 -1.719 -11.149 1.155 5.172 -2.073 H25A ZYF 67 ZYF HN29 HN29 H 0 0 N N N -0.586 -3.132 -12.672 0.354 6.246 0.266 HN29 ZYF 68 ZYF H30 H30 H 0 1 N N N -2.214 -0.747 -12.682 1.104 4.633 2.552 H30 ZYF 69 ZYF H31 H31 H 0 1 N N N -0.876 0.093 -14.358 -1.079 5.816 3.465 H31 ZYF 70 ZYF H31A H31A H 0 0 N N N -0.403 -1.568 -14.954 0.400 6.766 3.204 H31A ZYF 71 ZYF H32 H32 H 0 1 N N N -1.754 0.007 -16.493 -1.443 7.984 2.267 H32 ZYF 72 ZYF H32A H32A H 0 0 N N N -2.251 -1.734 -16.331 -0.447 7.371 0.940 H32A ZYF 73 ZYF H33 H33 H 0 1 N N N -3.576 0.469 -14.710 -2.995 6.050 1.916 H33 ZYF 74 ZYF H33A H33A H 0 0 N N N -4.100 0.080 -16.398 -2.900 7.174 0.543 H33A ZYF 75 ZYF H34 H34 H 0 1 N N N -5.541 -1.095 -14.832 -2.717 5.127 -0.556 H34 ZYF 76 ZYF H34A H34A H 0 0 N N N -4.473 -2.297 -15.669 -0.997 5.502 -0.273 H34A ZYF 77 ZYF HO36 HO36 H 0 0 N N N -4.709 -2.638 -12.107 -2.618 2.264 1.475 HO36 ZYF 78 ZYF H39 H39 H 0 1 N N N 1.096 2.597 -8.730 2.366 -0.202 -0.168 H39 ZYF 79 ZYF H39A H39A H 0 0 N N N 0.131 1.175 -9.295 0.946 0.722 -0.713 H39A ZYF 80 ZYF H40 H40 H 0 1 N N N 1.456 -0.288 -7.762 0.182 -1.233 -2.034 H40 ZYF 81 ZYF H40A H40A H 0 0 N N N 2.320 1.181 -7.150 1.602 -2.156 -1.490 H40A ZYF 82 ZYF H41 H41 H 0 1 N N N 0.206 2.082 -6.273 0.862 -1.908 0.864 H41 ZYF 83 ZYF H41A H41A H 0 0 N N N -0.692 0.656 -6.930 -0.559 -0.985 0.319 H41A ZYF 84 ZYF H42 H42 H 0 1 N N N 0.633 -0.831 -5.422 -1.323 -2.940 -1.002 H42 ZYF 85 ZYF H42A H42A H 0 0 N N N 1.434 0.635 -4.722 0.098 -3.863 -0.457 H42A ZYF 86 ZYF HO44 HO44 H 0 0 N N N -1.631 1.544 -3.377 -1.376 -4.697 2.618 HO44 ZYF 87 ZYF H47 H47 H 0 1 N N N -0.437 -2.468 -4.253 -2.734 -3.910 3.287 H47 ZYF 88 ZYF H48 H48 H 0 1 N N N -0.144 -3.316 -2.115 -4.765 -2.730 3.878 H48 ZYF 89 ZYF H49 H49 H 0 1 N N N -0.116 -1.850 -0.205 -5.136 -0.854 2.036 H49 ZYF 90 ZYF H49A H49A H 0 0 N N N -1.025 -0.590 -1.115 -4.622 -2.073 0.847 H49A ZYF 91 ZYF H50 H50 H 0 1 N N N -3.058 -1.971 -1.077 -6.520 -3.524 1.513 H50 ZYF 92 ZYF H50A H50A H 0 0 N N N -2.157 -3.318 -0.273 -7.034 -2.304 2.703 H50A ZYF 93 ZYF H51 H51 H 0 1 N N N -1.857 -1.956 1.742 -7.341 -0.653 0.878 H51 ZYF 94 ZYF H51A H51A H 0 0 N N N -2.657 -0.548 0.939 -6.826 -1.873 -0.312 H51A ZYF 95 ZYF H52 H52 H 0 1 N N N -4.761 -1.914 0.756 -8.724 -3.323 0.354 H52 ZYF 96 ZYF H52A H52A H 0 0 N N N -3.945 -3.227 1.693 -9.239 -2.104 1.544 H52A ZYF 97 ZYF H53 H53 H 0 1 N N N -3.673 -1.671 3.614 -9.545 -0.453 -0.281 H53 ZYF 98 ZYF H53A H53A H 0 0 N N N -4.525 -0.380 2.678 -9.031 -1.673 -1.471 H53A ZYF 99 ZYF H54 H54 H 0 1 N N N -6.576 -1.737 2.629 -10.929 -3.123 -0.805 H54 ZYF 100 ZYF H54A H54A H 0 0 N N N -5.731 -3.076 3.503 -11.443 -1.903 0.385 H54A ZYF 101 ZYF H55 H55 H 0 1 N N N -5.432 -1.585 5.473 -11.750 -0.252 -1.440 H55 ZYF 102 ZYF H55A H55A H 0 0 N N N -6.306 -0.268 4.601 -11.235 -1.472 -2.630 H55A ZYF 103 ZYF H56 H56 H 0 1 N N N 4.127 -1.300 -13.080 4.072 5.512 -3.155 H56 ZYF 104 ZYF H56A H56A H 0 0 N N N 4.165 0.463 -13.422 4.255 3.830 -3.707 H56A ZYF 105 ZYF H56B H56B H 0 0 N N N 4.126 -0.122 -11.724 2.736 4.706 -4.012 H56B ZYF 106 ZYF H531 H531 H 0 0 N N N -9.258 -1.972 5.140 -14.894 -1.717 -2.630 H531 ZYF 107 # 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 ZYF O2 C3 SING N N 1 ZYF O2 HO2 SING N N 2 ZYF C3 C4 DOUB Y N 3 ZYF C3 C8 SING Y N 4 ZYF C4 C5 SING Y N 5 ZYF C4 H4 SING N N 6 ZYF C5 C6 DOUB Y N 7 ZYF C5 H5 SING N N 8 ZYF C6 C7 SING Y N 9 ZYF C6 H6 SING N N 10 ZYF C7 C8 DOUB Y N 11 ZYF C7 H7 SING N N 12 ZYF C8 C10 SING N N 13 ZYF C10 N11 DOUB N N 14 ZYF C10 O14 SING N N 15 ZYF N11 C12 SING N N 16 ZYF C12 C13 SING N N 17 ZYF C12 C15 SING N N 18 ZYF C12 H12 SING N N 19 ZYF C13 O14 SING N N 20 ZYF C13 H13 SING N N 21 ZYF C13 H13A SING N N 22 ZYF C15 O16 DOUB N N 23 ZYF C15 N17 SING N N 24 ZYF N17 C18 SING N N 25 ZYF N17 HN17 SING N N 26 ZYF C18 C19 SING N N 27 ZYF C18 C39 SING N N 28 ZYF C18 H18 SING N N 29 ZYF C19 O20 DOUB N N 30 ZYF C19 O21 SING N N 31 ZYF O21 C22 SING N N 32 ZYF C22 C25 SING N N 33 ZYF C22 C56 SING N N 34 ZYF C22 H22 SING N N 35 ZYF C25 C27 SING N N 36 ZYF C25 H25 SING N N 37 ZYF C25 H25A SING N N 38 ZYF C27 O28 DOUB N N 39 ZYF C27 N29 SING N N 40 ZYF N29 C30 SING N N 41 ZYF N29 HN29 SING N N 42 ZYF C30 C31 SING N N 43 ZYF C30 C37 SING N N 44 ZYF C30 H30 SING N N 45 ZYF C31 C32 SING N N 46 ZYF C31 H31 SING N N 47 ZYF C31 H31A SING N N 48 ZYF C32 C33 SING N N 49 ZYF C32 H32 SING N N 50 ZYF C32 H32A SING N N 51 ZYF C33 C34 SING N N 52 ZYF C33 H33 SING N N 53 ZYF C33 H33A SING N N 54 ZYF C34 N35 SING N N 55 ZYF C34 H34 SING N N 56 ZYF C34 H34A SING N N 57 ZYF N35 O36 SING N N 58 ZYF N35 C37 SING N N 59 ZYF O36 HO36 SING N N 60 ZYF C37 O38 DOUB N N 61 ZYF C39 C40 SING N N 62 ZYF C39 H39 SING N N 63 ZYF C39 H39A SING N N 64 ZYF C40 C41 SING N N 65 ZYF C40 H40 SING N N 66 ZYF C40 H40A SING N N 67 ZYF C41 C42 SING N N 68 ZYF C41 H41 SING N N 69 ZYF C41 H41A SING N N 70 ZYF C42 N43 SING N N 71 ZYF C42 H42 SING N N 72 ZYF C42 H42A SING N N 73 ZYF N43 O44 SING N N 74 ZYF N43 C45 SING N N 75 ZYF O44 HO44 SING N N 76 ZYF C45 O46 DOUB N N 77 ZYF C45 C47 SING N N 78 ZYF C47 C48 DOUB N Z 79 ZYF C47 H47 SING N N 80 ZYF C48 C49 SING N N 81 ZYF C48 H48 SING N N 82 ZYF C49 C50 SING N N 83 ZYF C49 H49 SING N N 84 ZYF C49 H49A SING N N 85 ZYF C50 C51 SING N N 86 ZYF C50 H50 SING N N 87 ZYF C50 H50A SING N N 88 ZYF C51 C52 SING N N 89 ZYF C51 H51 SING N N 90 ZYF C51 H51A SING N N 91 ZYF C52 C53 SING N N 92 ZYF C52 H52 SING N N 93 ZYF C52 H52A SING N N 94 ZYF C53 C54 SING N N 95 ZYF C53 H53 SING N N 96 ZYF C53 H53A SING N N 97 ZYF O53 C57 SING N N 98 ZYF C54 C55 SING N N 99 ZYF C54 H54 SING N N 100 ZYF C54 H54A SING N N 101 ZYF O54 C57 DOUB N N 102 ZYF C55 C57 SING N N 103 ZYF C55 H55 SING N N 104 ZYF C55 H55A SING N N 105 ZYF C56 H56 SING N N 106 ZYF C56 H56A SING N N 107 ZYF C56 H56B SING N N 108 ZYF O53 H531 SING N N 109 # 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 ZYF SMILES ACDLabs 12.01 "O=C(NC(C(=O)OC(C)CC(=O)NC1C(=O)N(O)CCCC1)CCCCN(O)C(=O)\C=C/CCCCCCCC(=O)O)C2N=C(OC2)c3c(O)cccc3" ZYF SMILES_CANONICAL CACTVS 3.370 "C[C@@H](CC(=O)N[C@H]1CCCCN(O)C1=O)OC(=O)[C@H](CCCCN(O)C(=O)\C=C/CCCCCCCC(O)=O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O" ZYF SMILES CACTVS 3.370 "C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)OC(=O)[CH](CCCCN(O)C(=O)C=CCCCCCCCC(O)=O)NC(=O)[CH]2COC(=N2)c3ccccc3O" ZYF SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O)[C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O" ZYF SMILES "OpenEye OEToolkits" 1.7.0 "CC(CC(=O)NC1CCCCN(C1=O)O)OC(=O)C(CCCCN(C(=O)C=CCCCCCCCC(=O)O)O)NC(=O)C2COC(=N2)c3ccccc3O" ZYF InChI InChI 1.03 ;InChI=1S/C37H53N5O12/c1-25(23-31(44)38-27-16-11-14-22-42(52)36(27)49)54-37(50)28(39-34(48)29-24-53-35(40-29)26-15-9-10-18-30(26)43)17-12-13-21-41(51)32(45)19-7-5-3-2-4-6-8-20-33(46)47/h7,9-10,15,18-19,25,27-29,43,51-52H,2-6,8,11-14,16-17,20-24H2,1H3,(H,38,44)(H,39,48)(H,46,47)/b19-7-/t25-,27-,28-,29-/m0/s1 ; ZYF InChIKey InChI 1.03 DRNVRDPDTBNRNR-SFCJKLQFSA-N # 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 ZYF "SYSTEMATIC NAME" ACDLabs 12.01 "(9Z)-11-{hydroxy[(5S)-6-{[(2S)-4-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-4-oxobutan-2-yl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid" ZYF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(Z)-11-[hydroxy-[(5S)-6-[(2S)-4-[[(3S)-1-hydroxy-2-oxo-azepan-3-yl]amino]-4-oxo-butan-2-yl]oxy-5-[[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonylamino]-6-oxo-hexyl]amino]-11-oxo-undec-9-enoic 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 ZYF "Create component" 2010-10-26 RCSB ZYF "Modify descriptor" 2011-06-04 RCSB #