data_586 # _chem_comp.id 586 _chem_comp.name ;N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANES ULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C43 H51 F2 N5 O9 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5- oxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide ; _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2008-10-07 _chem_comp.pdbx_modified_date 2020-06-17 _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 851.955 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 586 _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 3ELT _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 586 O6 O6 O 0 1 N N N -34.163 -38.864 31.469 -6.747 2.355 -0.715 O6 586 1 586 C34 C34 C 0 1 N N N -34.164 -37.652 31.349 -5.595 1.995 -0.574 C34 586 2 586 N4 N4 N 0 1 N N N -34.049 -36.817 32.384 -4.591 2.731 -1.089 N4 586 3 586 C35 C35 C 0 1 N N R -33.902 -37.256 33.763 -4.888 3.966 -1.820 C35 586 4 586 C36 C36 C 0 1 Y N N -32.514 -36.944 34.230 -3.697 4.887 -1.756 C36 586 5 586 C42 C42 C 0 1 Y N N -32.013 -35.636 34.204 -2.419 4.373 -1.879 C42 586 6 586 C41 C41 C 0 1 Y N N -30.709 -35.364 34.641 -1.326 5.218 -1.820 C41 586 7 586 C40 C40 C 0 1 Y N N -29.899 -36.391 35.116 -1.511 6.576 -1.639 C40 586 8 586 C39 C39 C 0 1 Y N N -30.391 -37.701 35.149 -2.788 7.089 -1.517 C39 586 9 586 C38 C38 C 0 1 Y N N -31.697 -37.969 34.709 -3.881 6.246 -1.580 C38 586 10 586 C37 C37 C 0 1 N N N -34.941 -36.550 34.646 -5.197 3.633 -3.281 C37 586 11 586 C30 C30 C 0 1 Y N N -34.301 -37.092 29.970 -5.294 0.752 0.168 C30 586 12 586 C31 C31 C 0 1 Y N N -33.631 -37.656 28.902 -6.333 -0.008 0.707 C31 586 13 586 C32 C32 C 0 1 Y N N -33.757 -37.126 27.621 -6.052 -1.175 1.404 C32 586 14 586 N5 N5 N 0 1 N N N -33.072 -37.687 26.511 -7.095 -1.934 1.942 N5 586 15 586 S S S 0 1 N N N -31.733 -38.459 26.639 -7.271 -3.523 1.511 S 586 16 586 O8 O8 O 0 1 N N N -31.023 -38.316 25.410 -6.567 -3.632 0.281 O8 586 17 586 C44 C44 C 0 1 N N N -32.038 -40.094 26.897 -6.415 -4.444 2.818 C44 586 18 586 O7 O7 O 0 1 N N N -30.936 -38.013 27.739 -8.672 -3.750 1.576 O7 586 19 586 C43 C43 C 0 1 N N N -33.671 -37.535 25.173 -8.032 -1.324 2.889 C43 586 20 586 C33 C33 C 0 1 Y N N -34.591 -36.018 27.436 -4.739 -1.590 1.567 C33 586 21 586 C29 C29 C 0 1 Y N N -35.105 -35.994 29.786 -3.974 0.335 0.326 C29 586 22 586 C27 C27 C 0 1 Y N N -35.244 -35.449 28.523 -3.695 -0.834 1.030 C27 586 23 586 C28 C28 C 0 1 N N N -36.158 -34.265 28.425 -2.295 -1.276 1.205 C28 586 24 586 O5 O5 O 0 1 N N N -36.983 -34.246 27.523 -2.052 -2.299 1.816 O5 586 25 586 N1 N1 N 0 1 N N N -36.055 -33.304 29.377 -1.288 -0.546 0.686 N1 586 26 586 C5 C5 C 0 1 N N S -36.895 -32.133 29.434 0.100 -0.984 0.859 C5 586 27 586 C6 C6 C 0 1 N N N -37.347 -31.859 30.881 0.458 -1.988 -0.239 C6 586 28 586 O2 O2 O 0 1 N N N -37.248 -32.982 31.755 0.423 -1.336 -1.510 O2 586 29 586 C21 C21 C 0 1 Y N N -38.079 -34.078 31.581 0.719 -2.092 -2.599 C21 586 30 586 C26 C26 C 0 1 Y N N -37.808 -35.248 32.277 0.704 -1.523 -3.864 C26 586 31 586 C25 C25 C 0 1 Y N N -38.619 -36.368 32.089 1.006 -2.294 -4.973 C25 586 32 586 F54 F54 F 0 1 N N N -38.346 -37.493 32.762 0.992 -1.740 -6.205 F54 586 33 586 C24 C24 C 0 1 Y N N -39.702 -36.337 31.206 1.324 -3.633 -4.820 C24 586 34 586 C23 C23 C 0 1 Y N N -39.987 -35.166 30.527 1.339 -4.203 -3.558 C23 586 35 586 F55 F55 F 0 1 N N N -41.037 -35.132 29.704 1.649 -5.509 -3.410 F55 586 36 586 C22 C22 C 0 1 Y N N -39.182 -34.033 30.705 1.042 -3.432 -2.447 C22 586 37 586 C1 C1 C 0 1 N N S -36.260 -30.863 28.841 1.032 0.226 0.768 C1 586 38 586 O1 O1 O 0 1 N N N -35.022 -30.603 29.520 0.884 0.846 -0.511 O1 586 39 586 C3 C3 C 0 1 N N N -36.014 -31.030 27.343 0.674 1.229 1.866 C3 586 40 586 C2 C2 C 0 1 N N R -36.157 -29.757 26.541 1.660 2.398 1.830 C2 586 41 586 O9 O9 O 0 1 N N N -35.264 -29.838 25.420 1.229 3.413 2.739 O9 586 42 586 C45 C45 C 0 1 N N N -35.175 -28.634 24.678 0.307 4.346 2.173 C45 586 43 586 C4 C4 C 0 1 N N N -37.573 -29.637 26.032 3.029 1.913 2.231 C4 586 44 586 O3 O3 O 0 1 N N N -38.076 -30.541 25.353 3.483 2.208 3.317 O3 586 45 586 N2 N2 N 0 1 N N N -38.196 -28.494 26.356 3.749 1.151 1.384 N2 586 46 586 C8 C8 C 0 1 N N S -39.556 -28.230 25.907 5.030 0.586 1.816 C8 586 47 586 C10 C10 C 0 1 N N N -40.156 -26.978 26.569 4.785 -0.729 2.557 C10 586 48 586 C12 C12 C 0 1 N N N -39.368 -25.717 26.215 3.849 -0.479 3.741 C12 586 49 586 C11 C11 C 0 1 N N N -41.638 -26.780 26.206 4.143 -1.739 1.604 C11 586 50 586 C9 C9 C 0 1 N N N -39.577 -28.116 24.386 5.897 0.329 0.610 C9 586 51 586 O4 O4 O 0 1 N N N -38.626 -27.620 23.770 5.399 0.274 -0.495 O4 586 52 586 N3 N3 N 0 1 N N N -40.683 -28.589 23.781 7.226 0.159 0.759 N3 586 53 586 C13 C13 C 0 1 N N N -40.858 -28.548 22.340 8.053 -0.197 -0.397 C13 586 54 586 C14 C14 C 0 1 Y N N -41.299 -29.895 21.832 9.491 -0.326 0.036 C14 586 55 586 C19 C19 C 0 1 Y N N -42.456 -29.987 21.054 10.323 0.777 0.006 C19 586 56 586 C18 C18 C 0 1 Y N N -42.888 -31.227 20.577 11.642 0.659 0.402 C18 586 57 586 C17 C17 C 0 1 Y N N -42.147 -32.373 20.872 12.129 -0.563 0.828 C17 586 58 586 C16 C16 C 0 1 Y N N -40.996 -32.284 21.644 11.297 -1.666 0.859 C16 586 59 586 C15 C15 C 0 1 Y N N -40.568 -31.043 22.117 9.976 -1.546 0.467 C15 586 60 586 HN4 HN4 H 0 1 N N N -34.065 -35.834 32.201 -3.671 2.444 -0.977 HN4 586 61 586 H35 H35 H 0 1 N N N -34.069 -38.341 33.831 -5.751 4.457 -1.369 H35 586 62 586 H42 H42 H 0 1 N N N -32.636 -34.831 33.844 -2.274 3.312 -2.020 H42 586 63 586 H41 H41 H 0 1 N N N -30.331 -34.353 34.609 -0.328 4.817 -1.915 H41 586 64 586 H40 H40 H 0 1 N N N -28.897 -36.179 35.457 -0.657 7.235 -1.593 H40 586 65 586 H39 H39 H 0 1 N N N -29.767 -38.504 35.512 -2.933 8.150 -1.376 H39 586 66 586 H38 H38 H 0 1 N N N -32.074 -38.981 34.742 -4.880 6.647 -1.489 H38 586 67 586 H37 H37 H 0 1 N N N -34.518 -36.381 35.647 -6.059 2.967 -3.327 H37 586 68 586 H37A H37A H 0 0 N N N -35.210 -35.584 34.194 -5.418 4.552 -3.824 H37A 586 69 586 H37B H37B H 0 0 N N N -35.839 -37.179 34.729 -4.334 3.143 -3.732 H37B 586 70 586 H31 H31 H 0 1 N N N -33.002 -38.519 29.063 -7.357 0.312 0.582 H31 586 71 586 H44 H44 H 0 1 N N N -32.105 -40.612 25.929 -6.882 -4.230 3.779 H44 586 72 586 H44A H44A H 0 0 N N N -31.221 -40.530 27.491 -6.482 -5.513 2.612 H44A 586 73 586 H44B H44B H 0 0 N N N -32.988 -40.208 27.440 -5.368 -4.145 2.848 H44B 586 74 586 H43 H43 H 0 1 N N N -34.767 -37.497 25.263 -8.871 -0.893 2.342 H43 586 75 586 H43A H43A H 0 0 N N N -33.309 -36.604 24.713 -8.399 -2.084 3.578 H43A 586 76 586 H43B H43B H 0 0 N N N -33.385 -38.391 24.544 -7.523 -0.540 3.450 H43B 586 77 586 H33 H33 H 0 1 N N N -34.727 -35.604 26.448 -4.523 -2.498 2.110 H33 586 78 586 H29 H29 H 0 1 N N N -35.627 -35.558 30.625 -3.169 0.919 -0.094 H29 586 79 586 HN1 HN1 H 0 1 N N N -35.354 -33.414 30.082 -1.481 0.270 0.199 HN1 586 80 586 H5 H5 H 0 1 N N N -37.761 -32.369 28.799 0.212 -1.457 1.835 H5 586 81 586 H6 H6 H 0 1 N N N -36.710 -31.059 31.287 1.459 -2.381 -0.059 H6 586 82 586 H6A H6A H 0 1 N N N -38.412 -31.590 30.833 -0.261 -2.807 -0.231 H6A 586 83 586 H26 H26 H 0 1 N N N -36.973 -35.291 32.961 0.456 -0.479 -3.984 H26 586 84 586 H24 H24 H 0 1 N N N -40.309 -37.217 31.056 1.560 -4.234 -5.686 H24 586 85 586 H22 H22 H 0 1 N N N -39.407 -33.123 30.169 1.054 -3.877 -1.463 H22 586 86 586 H1 H1 H 0 1 N N N -36.947 -30.015 28.979 2.064 -0.101 0.897 H1 586 87 586 HO1 HO1 H 0 1 N N N -34.318 -30.546 28.885 -0.011 1.161 -0.694 HO1 586 88 586 H3 H3 H 0 1 N N N -34.987 -31.400 27.209 -0.337 1.602 1.702 H3 586 89 586 H3A H3A H 0 1 N N N -36.781 -31.726 26.972 0.727 0.739 2.838 H3A 586 90 586 H2 H2 H 0 1 N N N -35.921 -28.884 27.167 1.701 2.808 0.821 H2 586 91 586 H45 H45 H 0 1 N N N -35.152 -27.778 25.368 0.739 4.786 1.275 H45 586 92 586 H45A H45A H 0 0 N N N -34.256 -28.643 24.074 -0.619 3.832 1.916 H45A 586 93 586 H45B H45B H 0 0 N N N -36.049 -28.547 24.015 0.095 5.133 2.897 H45B 586 94 586 HN2 HN2 H 0 1 N N N -37.720 -27.814 26.914 3.419 0.976 0.489 HN2 586 95 586 H8 H8 H 0 1 N N N -40.189 -29.075 26.216 5.532 1.290 2.480 H8 586 96 586 H10 H10 H 0 1 N N N -40.086 -27.147 27.654 5.733 -1.124 2.921 H10 586 97 586 H12 H12 H 0 1 N N N -39.179 -25.134 27.128 2.862 -0.200 3.372 H12 586 98 586 H12A H12A H 0 0 N N N -38.409 -26.001 25.756 3.769 -1.387 4.339 H12A 586 99 586 H12B H12B H 0 0 N N N -39.949 -25.109 25.506 4.248 0.327 4.357 H12B 586 100 586 H11 H11 H 0 1 N N N -42.238 -26.733 27.127 4.810 -1.917 0.760 H11 586 101 586 H11A H11A H 0 0 N N N -41.755 -25.842 25.643 3.968 -2.677 2.132 H11A 586 102 586 H11B H11B H 0 0 N N N -41.980 -27.624 25.589 3.194 -1.344 1.241 H11B 586 103 586 HN3 HN3 H 0 1 N N N -41.410 -28.983 24.344 7.635 0.273 1.631 HN3 586 104 586 H13 H13 H 0 1 N N N -41.622 -27.798 22.089 7.711 -1.146 -0.809 H13 586 105 586 H13A H13A H 0 0 N N N -39.900 -28.282 21.869 7.970 0.581 -1.156 H13A 586 106 586 H19 H19 H 0 1 N N N -43.019 -29.095 20.820 9.943 1.732 -0.327 H19 586 107 586 H18 H18 H 0 1 N N N -43.788 -31.299 19.985 12.293 1.521 0.379 H18 586 108 586 H17 H17 H 0 1 N N N -42.470 -33.333 20.498 13.160 -0.655 1.137 H17 586 109 586 H16 H16 H 0 1 N N N -40.432 -33.175 21.878 11.677 -2.620 1.191 H16 586 110 586 H15 H15 H 0 1 N N N -39.666 -30.974 22.707 9.325 -2.407 0.495 H15 586 111 # # 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 586 C34 O6 DOUB N N 1 586 C30 C34 SING N N 2 586 C34 N4 SING N N 3 586 N4 C35 SING N N 4 586 N4 HN4 SING N N 5 586 C35 C36 SING N N 6 586 C35 C37 SING N N 7 586 C35 H35 SING N N 8 586 C42 C36 DOUB Y N 9 586 C36 C38 SING Y N 10 586 C42 C41 SING Y N 11 586 C42 H42 SING N N 12 586 C41 C40 DOUB Y N 13 586 C41 H41 SING N N 14 586 C40 C39 SING Y N 15 586 C40 H40 SING N N 16 586 C38 C39 DOUB Y N 17 586 C39 H39 SING N N 18 586 C38 H38 SING N N 19 586 C37 H37 SING N N 20 586 C37 H37A SING N N 21 586 C37 H37B SING N N 22 586 C31 C30 DOUB Y N 23 586 C29 C30 SING Y N 24 586 C32 C31 SING Y N 25 586 C31 H31 SING N N 26 586 N5 C32 SING N N 27 586 C33 C32 DOUB Y N 28 586 C43 N5 SING N N 29 586 N5 S SING N N 30 586 O8 S DOUB N N 31 586 S C44 SING N N 32 586 S O7 DOUB N N 33 586 C44 H44 SING N N 34 586 C44 H44A SING N N 35 586 C44 H44B SING N N 36 586 C43 H43 SING N N 37 586 C43 H43A SING N N 38 586 C43 H43B SING N N 39 586 C33 C27 SING Y N 40 586 C33 H33 SING N N 41 586 C27 C29 DOUB Y N 42 586 C29 H29 SING N N 43 586 C28 C27 SING N N 44 586 O5 C28 DOUB N N 45 586 C28 N1 SING N N 46 586 N1 C5 SING N N 47 586 N1 HN1 SING N N 48 586 C1 C5 SING N N 49 586 C5 C6 SING N N 50 586 C5 H5 SING N N 51 586 C6 O2 SING N N 52 586 C6 H6 SING N N 53 586 C6 H6A SING N N 54 586 C21 O2 SING N N 55 586 C22 C21 DOUB Y N 56 586 C21 C26 SING Y N 57 586 C25 C26 DOUB Y N 58 586 C26 H26 SING N N 59 586 C24 C25 SING Y N 60 586 C25 F54 SING N N 61 586 C23 C24 DOUB Y N 62 586 C24 H24 SING N N 63 586 F55 C23 SING N N 64 586 C23 C22 SING Y N 65 586 C22 H22 SING N N 66 586 C3 C1 SING N N 67 586 C1 O1 SING N N 68 586 C1 H1 SING N N 69 586 O1 HO1 SING N N 70 586 C2 C3 SING N N 71 586 C3 H3 SING N N 72 586 C3 H3A SING N N 73 586 O9 C2 SING N N 74 586 C4 C2 SING N N 75 586 C2 H2 SING N N 76 586 C45 O9 SING N N 77 586 C45 H45 SING N N 78 586 C45 H45A SING N N 79 586 C45 H45B SING N N 80 586 O3 C4 DOUB N N 81 586 C4 N2 SING N N 82 586 C8 N2 SING N N 83 586 N2 HN2 SING N N 84 586 C9 C8 SING N N 85 586 C8 C10 SING N N 86 586 C8 H8 SING N N 87 586 C11 C10 SING N N 88 586 C12 C10 SING N N 89 586 C10 H10 SING N N 90 586 C12 H12 SING N N 91 586 C12 H12A SING N N 92 586 C12 H12B SING N N 93 586 C11 H11 SING N N 94 586 C11 H11A SING N N 95 586 C11 H11B SING N N 96 586 O4 C9 DOUB N N 97 586 N3 C9 SING N N 98 586 C13 N3 SING N N 99 586 N3 HN3 SING N N 100 586 C14 C13 SING N N 101 586 C13 H13 SING N N 102 586 C13 H13A SING N N 103 586 C19 C14 DOUB Y N 104 586 C14 C15 SING Y N 105 586 C18 C19 SING Y N 106 586 C19 H19 SING N N 107 586 C18 C17 DOUB Y N 108 586 C18 H18 SING N N 109 586 C17 C16 SING Y N 110 586 C17 H17 SING N N 111 586 C16 C15 DOUB Y N 112 586 C16 H16 SING N N 113 586 C15 H15 SING N N 114 # # 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 586 SMILES ACDLabs 10.04 "O=C(NCc1ccccc1)C(NC(=O)C(OC)CC(O)C(NC(=O)c3cc(C(=O)NC(c2ccccc2)C)cc(N(C)S(=O)(=O)C)c3)COc4cc(F)cc(F)c4)C(C)C" 586 SMILES_CANONICAL CACTVS 3.341 "CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4" 586 SMILES CACTVS 3.341 "CO[CH](C[CH](O)[CH](COc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)N[CH](C(C)C)C(=O)NCc4ccccc4" 586 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC" 586 SMILES "OpenEye OEToolkits" 1.5.0 "CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(CC(C(COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O)OC" 586 InChI InChI 1.03 "InChI=1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37+,38-,39+/m1/s1" 586 InChIKey InChI 1.03 IEIHXPJWOSDLBU-VWMOWEEZSA-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 586 "SYSTEMATIC NAME" ACDLabs 10.04 "N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-oxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name)" 586 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 586 "Create component" 2008-10-07 RCSB 586 "Modify aromatic_flag" 2011-06-04 RCSB 586 "Modify descriptor" 2011-06-04 RCSB 586 "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 586 _pdbx_chem_comp_synonyms.name "N-{(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-[(3,5-difluorophenoxy)methyl]-2-hydroxy-4-methoxy-5-oxopentyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##