data_ZYG # _chem_comp.id ZYG _chem_comp.name "9-{hydroxy[(5S,6R)-6-hydroxy-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)hexyl]amino}-9-oxononanoic acid" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C35 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 735.822 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ZYG _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 3PEC _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 ZYG O2 O2 O 0 1 N N N -0.514 -1.436 3.132 4.729 -5.357 1.974 O2 ZYG 1 ZYG C3 C3 C 0 1 Y N N -1.544 -1.681 2.447 4.394 -6.556 1.435 C3 ZYG 2 ZYG C4 C4 C 0 1 Y N N -2.551 -2.467 3.048 4.676 -7.729 2.118 C4 ZYG 3 ZYG C5 C5 C 0 1 Y N N -3.727 -2.774 2.346 4.335 -8.950 1.568 C5 ZYG 4 ZYG C6 C6 C 0 1 Y N N -3.911 -2.292 1.041 3.710 -9.011 0.334 C6 ZYG 5 ZYG C7 C7 C 0 1 Y N N -2.914 -1.503 0.438 3.422 -7.854 -0.357 C7 ZYG 6 ZYG C8 C8 C 0 1 Y N N -1.707 -1.183 1.121 3.756 -6.614 0.190 C8 ZYG 7 ZYG C10 C10 C 0 1 N N N -0.733 -0.396 0.496 3.445 -5.370 -0.544 C10 ZYG 8 ZYG N11 N11 N 0 1 N N N -0.846 0.105 -0.676 3.735 -4.189 -0.091 N11 ZYG 9 ZYG C12 C12 C 0 1 N N S 0.258 0.838 -1.046 3.275 -3.187 -1.073 C12 ZYG 10 ZYG C13 C13 C 0 1 N N N 1.113 0.684 0.237 2.329 -4.024 -1.968 C13 ZYG 11 ZYG O14 O14 O 0 1 N N N 0.346 -0.081 1.000 2.838 -5.357 -1.749 O14 ZYG 12 ZYG C15 C15 C 0 1 N N N 0.782 0.341 -2.310 2.525 -2.072 -0.392 C15 ZYG 13 ZYG O16 O16 O 0 1 N N N 0.248 0.751 -3.334 2.080 -2.234 0.725 O16 ZYG 14 ZYG N17 N17 N 0 1 N N N 1.747 -0.534 -2.355 2.348 -0.895 -1.024 N17 ZYG 15 ZYG C18 C18 C 0 1 N N S 2.569 -0.858 -3.450 1.619 0.190 -0.362 C18 ZYG 16 ZYG C19 C19 C 0 1 N N R 2.547 -2.413 -3.588 2.337 0.570 0.935 C19 ZYG 17 ZYG O20 O20 O 0 1 N N N 3.104 -3.026 -2.427 1.625 1.628 1.580 O20 ZYG 18 ZYG O21 O21 O 0 1 N N N 3.275 -2.952 -4.712 3.665 1.003 0.635 O21 ZYG 19 ZYG C22 C22 C 0 1 N N S 2.768 -2.770 -6.058 4.497 1.168 1.785 C22 ZYG 20 ZYG C25 C25 C 0 1 N N N 1.512 -3.631 -6.406 5.529 2.264 1.515 C25 ZYG 21 ZYG C27 C27 C 0 1 N N N 0.238 -3.116 -5.931 4.825 3.585 1.341 C27 ZYG 22 ZYG O28 O28 O 0 1 N N N -0.157 -2.011 -6.277 3.617 3.644 1.423 O28 ZYG 23 ZYG N29 N29 N 0 1 N N N -0.500 -3.838 -5.152 5.539 4.701 1.092 N29 ZYG 24 ZYG C30 C30 C 0 1 N N S -1.644 -4.555 -5.546 4.854 5.985 0.923 C30 ZYG 25 ZYG C31 C31 C 0 1 N N N -1.352 -5.574 -6.696 5.862 7.128 1.066 C31 ZYG 26 ZYG C32 C32 C 0 1 N N N -2.510 -6.513 -7.172 7.213 6.727 0.502 C32 ZYG 27 ZYG C33 C33 C 0 1 N N N -3.948 -6.205 -6.667 7.214 6.521 -1.001 C33 ZYG 28 ZYG C34 C34 C 0 1 N N N -4.133 -6.450 -5.144 6.366 5.307 -1.386 C34 ZYG 29 ZYG N35 N35 N 0 1 N N N -3.486 -5.501 -4.329 4.966 5.737 -1.533 N35 ZYG 30 ZYG O36 O36 O 0 1 N N N -4.152 -4.874 -3.445 4.386 5.812 -2.822 O36 ZYG 31 ZYG C37 C37 C 0 1 N N N -2.215 -5.247 -4.393 4.241 6.056 -0.460 C37 ZYG 32 ZYG O38 O38 O 0 1 N N N -1.510 -5.632 -3.467 3.087 6.404 -0.593 O38 ZYG 33 ZYG C39 C39 C 0 1 N N N 4.002 -0.260 -3.265 0.197 -0.274 -0.041 C39 ZYG 34 ZYG C40 C40 C 0 1 N N N 4.011 1.280 -3.033 -0.561 -0.535 -1.344 C40 ZYG 35 ZYG C41 C41 C 0 1 N N N 5.434 1.891 -2.919 -1.983 -0.999 -1.022 C41 ZYG 36 ZYG C42 C42 C 0 1 N N N 5.417 3.393 -2.500 -2.741 -1.260 -2.325 C42 ZYG 37 ZYG N43 N43 N 0 1 N N N 6.644 4.061 -2.711 -4.103 -1.704 -2.018 N43 ZYG 38 ZYG O44 O44 O 0 1 N N N 7.689 3.479 -2.254 -4.454 -3.067 -2.169 O44 ZYG 39 ZYG C45 C45 C 0 1 N N N 6.798 5.248 -3.273 -5.022 -0.815 -1.591 C45 ZYG 40 ZYG O46 O46 O 0 1 N N N 7.745 5.938 -2.908 -4.721 0.353 -1.462 O46 ZYG 41 ZYG C47 C47 C 0 1 N N N 5.929 5.835 -4.297 -6.422 -1.271 -1.274 C47 ZYG 42 ZYG C48 C48 C 0 1 N N N 5.859 5.001 -5.604 -7.258 -0.075 -0.815 C48 ZYG 43 ZYG C49 C49 C 0 1 N N N 4.918 5.639 -6.661 -8.680 -0.538 -0.493 C49 ZYG 44 ZYG C50 C50 C 0 1 N N N 4.997 4.941 -8.045 -9.515 0.658 -0.034 C50 ZYG 45 ZYG C51 C51 C 0 1 N N N 3.982 5.533 -9.060 -10.937 0.195 0.287 C51 ZYG 46 ZYG O51 O51 O 0 1 N N N 2.701 3.720 -12.934 -15.305 1.936 1.858 O51 ZYG 47 ZYG C52 C52 C 0 1 N N N 4.047 4.839 -10.447 -11.772 1.391 0.747 C52 ZYG 48 ZYG O52 O52 O 0 1 N N N 3.669 5.389 -13.753 -13.517 3.205 1.580 O52 ZYG 49 ZYG C53 C53 C 0 1 N N N 3.117 5.510 -11.494 -13.194 0.928 1.068 C53 ZYG 50 ZYG C54 C54 C 0 1 N N N 3.166 4.844 -12.782 -14.017 2.107 1.521 C54 ZYG 51 ZYG C56 C56 C 0 1 N N N 3.947 -3.168 -6.982 5.217 -0.148 2.086 C56 ZYG 52 ZYG HO2 HO2 H 0 1 N N N 0.086 -0.903 2.623 5.614 -5.051 1.733 HO2 ZYG 53 ZYG H4 H4 H 0 1 N N N -2.416 -2.834 4.054 5.163 -7.689 3.081 H4 ZYG 54 ZYG H5 H5 H 0 1 N N N -4.490 -3.381 2.810 4.557 -9.861 2.104 H5 ZYG 55 ZYG H6 H6 H 0 1 N N N -4.816 -2.526 0.500 3.448 -9.970 -0.088 H6 ZYG 56 ZYG H7 H7 H 0 1 N N N -3.068 -1.132 -0.565 2.934 -7.906 -1.320 H7 ZYG 57 ZYG H12 H12 H 0 1 N N N 0.138 1.903 -1.296 4.112 -2.796 -1.651 H12 ZYG 58 ZYG H13 H13 H 0 1 N N N 2.085 0.212 0.028 1.295 -3.936 -1.635 H13 ZYG 59 ZYG H13A H13A H 0 0 N N N 1.323 1.655 0.709 2.426 -3.738 -3.016 H13A ZYG 60 ZYG HN17 HN17 H 0 0 N N N 1.925 -1.036 -1.509 2.704 -0.765 -1.917 HN17 ZYG 61 ZYG H18 H18 H 0 1 N N N 2.200 -0.414 -4.386 1.578 1.056 -1.022 H18 ZYG 62 ZYG H19 H19 H 0 1 N N N 1.480 -2.639 -3.733 2.378 -0.296 1.595 H19 ZYG 63 ZYG H22 H22 H 0 1 N N N 2.427 -1.731 -6.180 3.882 1.449 2.640 H22 ZYG 64 ZYG H25 H25 H 0 1 N N N 1.452 -3.697 -7.502 6.219 2.328 2.357 H25 ZYG 65 ZYG H25A H25A H 0 0 N N N 1.656 -4.622 -5.951 6.084 2.025 0.608 H25A ZYG 66 ZYG HN29 HN29 H 0 0 N N N -0.235 -3.891 -4.189 6.505 4.654 1.026 HN29 ZYG 67 ZYG H31 H31 H 0 1 N N N -1.049 -4.981 -7.571 5.494 8.001 0.527 H31 ZYG 68 ZYG H32 H32 H 0 1 N N N -2.539 -6.450 -8.270 7.937 7.504 0.747 H32 ZYG 69 ZYG H32A H32A H 0 0 N N N -2.261 -7.526 -6.823 7.528 5.800 0.981 H32A ZYG 70 ZYG H33 H33 H 0 1 N N N -4.165 -5.146 -6.873 6.807 7.410 -1.485 H33 ZYG 71 ZYG H33A H33A H 0 0 N N N -4.649 -6.858 -7.207 8.238 6.366 -1.342 H33A ZYG 72 ZYG H34 H34 H 0 1 N N N -5.210 -6.411 -4.922 6.724 4.895 -2.329 H34 ZYG 73 ZYG H34A H34A H 0 0 N N N -3.719 -7.441 -4.906 6.436 4.550 -0.604 H34A ZYG 74 ZYG HO36 HO36 H 0 0 N N N -3.587 -4.668 -2.709 3.464 6.103 -2.822 HO36 ZYG 75 ZYG H39 H39 H 0 1 N N N 4.462 -0.740 -2.389 0.238 -1.191 0.546 H39 ZYG 76 ZYG H39A H39A H 0 0 N N N 4.581 -0.472 -4.176 -0.317 0.500 0.530 H39A ZYG 77 ZYG H40 H40 H 0 1 N N N 3.504 1.755 -3.885 -0.602 0.383 -1.930 H40 ZYG 78 ZYG H40A H40A H 0 0 N N N 3.476 1.486 -2.094 -0.047 -1.308 -1.914 H40A ZYG 79 ZYG H41 H41 H 0 1 N N N 5.994 1.326 -2.159 -1.942 -1.916 -0.436 H41 ZYG 80 ZYG H41A H41A H 0 0 N N N 5.925 1.811 -3.900 -2.497 -0.225 -0.452 H41A ZYG 81 ZYG H42 H42 H 0 1 N N N 4.645 3.903 -3.095 -2.782 -0.342 -2.912 H42 ZYG 82 ZYG H42A H42A H 0 0 N N N 5.182 3.444 -1.427 -2.227 -2.033 -2.896 H42A ZYG 83 ZYG HO44 HO44 H 0 0 N N N 8.407 4.100 -2.218 -5.373 -3.264 -1.942 HO44 ZYG 84 ZYG H47 H47 H 0 1 N N N 4.913 5.908 -3.883 -6.873 -1.708 -2.166 H47 ZYG 85 ZYG H47A H47A H 0 0 N N N 6.321 6.832 -4.548 -6.391 -2.018 -0.481 H47A ZYG 86 ZYG H48 H48 H 0 1 N N N 6.871 4.935 -6.031 -6.807 0.362 0.077 H48 ZYG 87 ZYG H48A H48A H 0 0 N N N 5.480 3.998 -5.359 -7.289 0.672 -1.608 H48A ZYG 88 ZYG H49 H49 H 0 1 N N N 3.884 5.562 -6.294 -9.130 -0.975 -1.385 H49 ZYG 89 ZYG H49A H49A H 0 0 N N N 5.206 6.693 -6.789 -8.648 -1.285 0.300 H49A ZYG 90 ZYG H50 H50 H 0 1 N N N 6.012 5.074 -8.447 -9.065 1.095 0.858 H50 ZYG 91 ZYG H50A H50A H 0 0 N N N 4.775 3.872 -7.911 -9.547 1.405 -0.827 H50A ZYG 92 ZYG H51 H51 H 0 1 N N N 2.968 5.402 -8.654 -11.387 -0.242 -0.604 H51 ZYG 93 ZYG H51A H51A H 0 0 N N N 4.209 6.601 -9.195 -10.905 -0.552 1.081 H51A ZYG 94 ZYG H52 H52 H 0 1 N N N 5.082 4.894 -10.815 -11.322 1.828 1.639 H52 ZYG 95 ZYG H52A H52A H 0 0 N N N 3.736 3.791 -10.327 -11.804 2.138 -0.046 H52A ZYG 96 ZYG H53 H53 H 0 1 N N N 2.083 5.471 -11.119 -13.644 0.492 0.177 H53 ZYG 97 ZYG H53A H53A H 0 0 N N N 3.437 6.554 -11.628 -13.162 0.181 1.862 H53A ZYG 98 ZYG H56 H56 H 0 1 N N N 3.643 -3.057 -8.033 5.851 -0.023 2.963 H56 ZYG 99 ZYG H56A H56A H 0 0 N N N 4.808 -2.515 -6.779 4.481 -0.930 2.277 H56A ZYG 100 ZYG H56B H56B H 0 0 N N N 4.226 -4.214 -6.789 5.831 -0.430 1.230 H56B ZYG 101 ZYG H521 H521 H 0 0 N N N 3.083 -3.971 -2.526 1.550 2.433 1.049 H521 ZYG 102 ZYG H531 H531 H 0 0 N N N 2.818 3.448 -13.837 -15.792 2.722 2.142 H531 ZYG 103 ZYG H522 H522 H 0 0 N N N -2.366 -3.826 -5.942 4.075 6.088 1.678 H522 ZYG 104 ZYG H532 H532 H 0 0 N N N -0.544 -6.229 -6.338 5.973 7.378 2.121 H532 ZYG 105 # 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 ZYG O2 C3 SING N N 1 ZYG O2 HO2 SING N N 2 ZYG C3 C4 DOUB Y N 3 ZYG C3 C8 SING Y N 4 ZYG C4 C5 SING Y N 5 ZYG C4 H4 SING N N 6 ZYG C5 C6 DOUB Y N 7 ZYG C5 H5 SING N N 8 ZYG C6 C7 SING Y N 9 ZYG C6 H6 SING N N 10 ZYG C7 C8 DOUB Y N 11 ZYG C7 H7 SING N N 12 ZYG C8 C10 SING N N 13 ZYG C10 N11 DOUB N N 14 ZYG C10 O14 SING N N 15 ZYG N11 C12 SING N N 16 ZYG C12 C13 SING N N 17 ZYG C12 C15 SING N N 18 ZYG C12 H12 SING N N 19 ZYG C13 O14 SING N N 20 ZYG C13 H13 SING N N 21 ZYG C13 H13A SING N N 22 ZYG C15 O16 DOUB N N 23 ZYG C15 N17 SING N N 24 ZYG N17 C18 SING N N 25 ZYG N17 HN17 SING N N 26 ZYG C18 C19 SING N N 27 ZYG C18 C39 SING N N 28 ZYG C18 H18 SING N N 29 ZYG C19 O20 SING N N 30 ZYG C19 O21 SING N N 31 ZYG C19 H19 SING N N 32 ZYG O20 H521 SING N N 33 ZYG O21 C22 SING N N 34 ZYG C22 C25 SING N N 35 ZYG C22 C56 SING N N 36 ZYG C22 H22 SING N N 37 ZYG C25 C27 SING N N 38 ZYG C25 H25 SING N N 39 ZYG C25 H25A SING N N 40 ZYG C27 O28 DOUB N N 41 ZYG C27 N29 SING N N 42 ZYG N29 C30 SING N N 43 ZYG N29 HN29 SING N N 44 ZYG C30 C31 SING N N 45 ZYG C30 C37 SING N N 46 ZYG C31 C32 SING N N 47 ZYG C31 H31 SING N N 48 ZYG C32 C33 SING N N 49 ZYG C32 H32 SING N N 50 ZYG C32 H32A SING N N 51 ZYG C33 C34 SING N N 52 ZYG C33 H33 SING N N 53 ZYG C33 H33A SING N N 54 ZYG C34 N35 SING N N 55 ZYG C34 H34 SING N N 56 ZYG C34 H34A SING N N 57 ZYG N35 O36 SING N N 58 ZYG N35 C37 SING N N 59 ZYG O36 HO36 SING N N 60 ZYG C37 O38 DOUB N N 61 ZYG C39 C40 SING N N 62 ZYG C39 H39 SING N N 63 ZYG C39 H39A SING N N 64 ZYG C40 C41 SING N N 65 ZYG C40 H40 SING N N 66 ZYG C40 H40A SING N N 67 ZYG C41 C42 SING N N 68 ZYG C41 H41 SING N N 69 ZYG C41 H41A SING N N 70 ZYG C42 N43 SING N N 71 ZYG C42 H42 SING N N 72 ZYG C42 H42A SING N N 73 ZYG N43 O44 SING N N 74 ZYG N43 C45 SING N N 75 ZYG O44 HO44 SING N N 76 ZYG C45 O46 DOUB N N 77 ZYG C45 C47 SING N N 78 ZYG C47 C48 SING N N 79 ZYG C47 H47 SING N N 80 ZYG C47 H47A SING N N 81 ZYG C48 C49 SING N N 82 ZYG C48 H48 SING N N 83 ZYG C48 H48A SING N N 84 ZYG C49 C50 SING N N 85 ZYG C49 H49 SING N N 86 ZYG C49 H49A SING N N 87 ZYG C50 C51 SING N N 88 ZYG C50 H50 SING N N 89 ZYG C50 H50A SING N N 90 ZYG C51 C52 SING N N 91 ZYG C51 H51 SING N N 92 ZYG C51 H51A SING N N 93 ZYG O51 C54 SING N N 94 ZYG O51 H531 SING N N 95 ZYG C52 C53 SING N N 96 ZYG C52 H52 SING N N 97 ZYG C52 H52A SING N N 98 ZYG O52 C54 DOUB N N 99 ZYG C53 C54 SING N N 100 ZYG C53 H53 SING N N 101 ZYG C53 H53A SING N N 102 ZYG C56 H56 SING N N 103 ZYG C56 H56A SING N N 104 ZYG C56 H56B SING N N 105 ZYG C30 H522 SING N N 106 ZYG C31 H532 SING N N 107 # 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 ZYG SMILES ACDLabs 12.01 "O=C(NC(CCCCN(O)C(=O)CCCCCCCC(=O)O)C(O)OC(C)CC(=O)NC1C(=O)N(O)CCCC1)C2N=C(OC2)c3c(O)cccc3" ZYG SMILES_CANONICAL CACTVS 3.370 "C[C@@H](CC(=O)N[C@H]1CCCCN(O)C1=O)O[C@@H](O)[C@H](CCCCN(O)C(=O)CCCCCCCC(O)=O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O" ZYG SMILES CACTVS 3.370 "C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)O[CH](O)[CH](CCCCN(O)C(=O)CCCCCCCC(O)=O)NC(=O)[CH]2COC(=N2)c3ccccc3O" ZYG SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C@H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@@H]2COC(=N2)c3ccccc3O)O" ZYG SMILES "OpenEye OEToolkits" 1.7.0 "CC(CC(=O)NC1CCCCN(C1=O)O)OC(C(CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)C2COC(=N2)c3ccccc3O)O" ZYG InChI InChI 1.03 ;InChI=1S/C35H53N5O12/c1-23(21-29(42)36-25-14-9-12-20-40(50)34(25)47)52-35(48)26(37-32(46)27-22-51-33(38-27)24-13-7-8-16-28(24)41)15-10-11-19-39(49)30(43)17-5-3-2-4-6-18-31(44)45/h7-8,13,16,23,25-27,35,41,48-50H,2-6,9-12,14-15,17-22H2,1H3,(H,36,42)(H,37,46)(H,44,45)/t23-,25-,26-,27-,35+/m0/s1 ; ZYG InChIKey InChI 1.03 IAYIKQLBDQWIRR-QMSOLXAJSA-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 ZYG "SYSTEMATIC NAME" ACDLabs 12.01 "9-{hydroxy[(5S,6R)-6-hydroxy-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)hexyl]amino}-9-oxononanoic acid" ZYG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "9-[hydroxy-[(5S,6R)-6-hydroxy-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]hexyl]amino]-9-oxo-nonanoic 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 ZYG "Create component" 2010-10-26 RCSB ZYG "Modify descriptor" 2011-06-04 RCSB #