data_929 # _chem_comp.id 929 _chem_comp.name "N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-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" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C44 H53 F2 N5 O8 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-BENZYLOXYMETHYL)-2-HYDROXY-PENTYL]-5-[Methyl(METHANESULFONYL)Amino]-N'-(1-PHENYL-ETHYL)-ISOPHTHALAMIDE" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2008-09-30 _chem_comp.pdbx_modified_date 2021-03-13 _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 849.982 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 929 _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 3ELR _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 929 O6 O6 O 0 1 N N N -23.956 26.191 0.137 -6.180 0.062 3.204 O6 929 1 929 C34 C34 C 0 1 N N N -23.130 25.418 -0.314 -5.170 0.060 2.527 C34 929 2 929 N4 N4 N 0 1 N N N -23.396 24.592 -1.353 -4.214 0.985 2.742 N4 929 3 929 C35 C35 C 0 1 N N R -24.676 24.438 -2.038 -4.391 1.992 3.791 C35 929 4 929 C36 C36 C 0 1 Y N N -24.751 25.077 -3.372 -3.041 2.480 4.251 C36 929 5 929 C42 C42 C 0 1 Y N N -24.060 24.565 -4.468 -2.812 2.714 5.594 C42 929 6 929 C41 C41 C 0 1 Y N N -24.172 25.213 -5.708 -1.574 3.162 6.016 C41 929 7 929 C40 C40 C 0 1 Y N N -24.963 26.348 -5.870 -0.566 3.376 5.095 C40 929 8 929 C39 C39 C 0 1 Y N N -25.650 26.879 -4.784 -0.795 3.141 3.753 C39 929 9 929 C38 C38 C 0 1 Y N N -25.529 26.232 -3.550 -2.031 2.689 3.331 C38 929 10 929 C37 C37 C 0 1 N N N -24.949 22.952 -2.157 -5.198 3.168 3.239 C37 929 11 929 C30 C30 C 0 1 Y N N -21.732 25.367 0.254 -4.989 -0.960 1.472 C30 929 12 929 C31 C31 C 0 1 Y N N -20.985 26.493 0.603 -5.977 -1.921 1.252 C31 929 13 929 C32 C32 C 0 1 Y N N -19.681 26.334 1.058 -5.808 -2.878 0.262 C32 929 14 929 N5 N5 N 0 1 N N N -18.949 27.509 1.395 -6.799 -3.839 0.045 N5 929 15 929 S S S 0 1 N N N -19.253 28.883 0.722 -7.503 -3.980 -1.447 S 929 16 929 O8 O8 O 0 1 N N N -18.077 29.684 0.844 -7.251 -2.729 -2.072 O8 929 17 929 C44 C44 C 0 1 N N N -20.401 29.636 1.678 -6.568 -5.301 -2.266 C44 929 18 929 O7 O7 O 0 1 N N N -19.820 28.632 -0.594 -8.830 -4.407 -1.169 O7 929 19 929 C43 C43 C 0 1 N N N -17.875 27.351 2.400 -7.214 -4.723 1.138 C43 929 20 929 C33 C33 C 0 1 Y N N -19.123 25.046 1.147 -4.657 -2.883 -0.512 C33 929 21 929 C29 C29 C 0 1 Y N N -21.168 24.110 0.351 -3.835 -0.958 0.692 C29 929 22 929 C27 C27 C 0 1 Y N N -19.879 23.924 0.799 -3.665 -1.924 -0.298 C27 929 23 929 C28 C28 C 0 1 N N N -19.369 22.500 0.821 -2.439 -1.930 -1.124 C28 929 24 929 O5 O5 O 0 1 N N N -18.739 22.111 1.800 -2.294 -2.771 -1.990 O5 929 25 929 N1 N1 N 0 1 N N N -19.593 21.701 -0.252 -1.482 -1.004 -0.916 N1 929 26 929 C5 C5 C 0 1 N N S -19.106 20.315 -0.274 -0.267 -1.010 -1.735 C5 929 27 929 C6 C6 C 0 1 N N N -20.108 19.350 -0.879 -0.522 -0.242 -3.033 C6 929 28 929 O2 O2 O 0 1 N N N -21.398 19.790 -0.526 -0.769 1.133 -2.733 O2 929 29 929 C20 C20 C 0 1 N N N -21.379 19.667 0.871 -1.021 1.943 -3.882 C20 929 30 929 C21 C21 C 0 1 Y N N -22.471 20.435 1.550 -1.266 3.366 -3.450 C21 929 31 929 C26 C26 C 0 1 Y N N -23.624 20.828 0.917 -0.207 4.248 -3.346 C26 929 32 929 C25 C25 C 0 1 Y N N -24.571 21.508 1.680 -0.431 5.556 -2.950 C25 929 33 929 F1 F1 F 0 1 N N N -25.726 21.930 1.136 0.604 6.418 -2.848 F1 929 34 929 C24 C24 C 0 1 Y N N -24.389 21.792 3.019 -1.717 5.979 -2.657 C24 929 35 929 C23 C23 C 0 1 Y N N -23.223 21.367 3.603 -2.776 5.095 -2.762 C23 929 36 929 F2 F2 F 0 1 N N N -22.999 21.609 4.896 -4.031 5.506 -2.477 F2 929 37 929 C22 C22 C 0 1 Y N N -22.269 20.697 2.882 -2.550 3.789 -3.163 C22 929 38 929 C1 C1 C 0 1 N N S -17.744 20.096 -0.963 0.872 -0.341 -0.962 C1 929 39 929 O1 O1 O 0 1 N N N -17.695 20.664 -2.277 0.511 1.007 -0.655 O1 929 40 929 C3 C3 C 0 1 N N N -16.593 20.686 -0.166 1.128 -1.109 0.336 C3 929 41 929 C2 C2 C 0 1 N N R -15.263 19.967 -0.361 2.326 -0.497 1.063 C2 929 42 929 C7 C7 C 0 1 N N N -14.148 21.030 -0.396 2.471 -1.143 2.442 C7 929 43 929 C4 C4 C 0 1 N N N -15.024 19.056 0.814 3.579 -0.741 0.261 C4 929 44 929 O3 O3 O 0 1 N N N -15.095 19.607 1.909 3.518 -1.345 -0.789 O3 929 45 929 N2 N2 N 0 1 N N N -14.748 17.740 0.641 4.766 -0.288 0.710 N2 929 46 929 C8 C8 C 0 1 N N S -14.455 16.834 1.764 5.983 -0.525 -0.070 C8 929 47 929 C10 C10 C 0 1 N N N -13.997 15.421 1.411 6.132 0.570 -1.128 C10 929 48 929 C12 C12 C 0 1 N N N -14.897 14.279 1.834 4.965 0.487 -2.115 C12 929 49 929 C11 C11 C 0 1 N N N -13.280 15.223 0.084 6.127 1.941 -0.449 C11 929 50 929 C9 C9 C 0 1 N N N -13.341 17.454 2.550 7.179 -0.503 0.847 C9 929 51 929 O4 O4 O 0 1 N N N -12.502 18.024 1.873 7.095 0.013 1.941 O4 929 52 929 N3 N3 N 0 1 N N N -13.269 17.202 3.861 8.342 -1.056 0.450 N3 929 53 929 C13 C13 C 0 1 N N N -12.205 17.674 4.713 9.471 -1.134 1.380 C13 929 54 929 C14 C14 C 0 1 Y N N -12.546 18.961 5.416 10.642 -1.791 0.695 C14 929 55 929 C19 C19 C 0 1 Y N N -13.633 19.035 6.284 11.561 -1.021 0.007 C19 929 56 929 C18 C18 C 0 1 Y N N -13.935 20.221 6.956 12.635 -1.623 -0.621 C18 929 57 929 C17 C17 C 0 1 Y N N -13.136 21.356 6.745 12.790 -2.996 -0.561 C17 929 58 929 C16 C16 C 0 1 Y N N -12.017 21.287 5.895 11.872 -3.766 0.128 C16 929 59 929 C15 C15 C 0 1 Y N N -11.723 20.078 5.237 10.800 -3.163 0.760 C15 929 60 929 HN4 HN4 H 0 1 N N N -22.638 24.030 -1.685 -3.408 0.984 2.202 HN4 929 61 929 H35 H35 H 0 1 N N N -25.436 24.960 -1.438 -4.923 1.549 4.633 H35 929 62 929 H42 H42 H 0 1 N N N -23.447 23.682 -4.365 -3.600 2.547 6.314 H42 929 63 929 H41 H41 H 0 1 N N N -23.632 24.822 -6.557 -1.395 3.345 7.066 H41 929 64 929 H40 H40 H 0 1 N N N -25.043 26.816 -6.840 0.401 3.727 5.425 H40 929 65 929 H39 H39 H 0 1 N N N -26.259 27.765 -4.890 -0.007 3.309 3.033 H39 929 66 929 H38 H38 H 0 1 N N N -26.056 26.638 -2.699 -2.209 2.502 2.282 H38 929 67 929 H37 H37 H 0 1 N N N -25.015 22.675 -3.219 -6.174 2.815 2.906 H37 929 68 929 H37A H37A H 0 0 N N N -24.132 22.390 -1.682 -5.329 3.918 4.019 H37A 929 69 929 H37B H37B H 0 0 N N N -25.899 22.713 -1.656 -4.665 3.611 2.397 H37B 929 70 929 H31 H31 H 0 1 N N N -21.416 27.480 0.520 -6.874 -1.920 1.854 H31 929 71 929 H44 H44 H 0 1 N N N -19.989 29.801 2.685 -6.654 -6.220 -1.687 H44 929 72 929 H44A H44A H 0 0 N N N -20.674 30.603 1.230 -6.968 -5.463 -3.267 H44A 929 73 929 H44B H44B H 0 0 N N N -21.295 28.999 1.748 -5.519 -5.013 -2.337 H44B 929 74 929 H43 H43 H 0 1 N N N -16.900 27.312 1.892 -8.037 -4.262 1.684 H43 929 75 929 H43A H43A H 0 0 N N N -17.893 28.205 3.093 -7.540 -5.679 0.728 H43A 929 76 929 H43B H43B H 0 0 N N N -18.033 26.419 2.962 -6.374 -4.885 1.813 H43B 929 77 929 H33 H33 H 0 1 N N N -18.105 24.924 1.486 -4.528 -3.630 -1.282 H33 929 78 929 H29 H29 H 0 1 N N N -21.754 23.249 0.068 -3.071 -0.213 0.856 H29 929 79 929 HN1 HN1 H 0 1 N N N -20.096 22.060 -1.038 -1.597 -0.334 -0.225 HN1 929 80 929 H5 H5 H 0 1 N N N -18.966 20.102 0.796 0.008 -2.039 -1.969 H5 929 81 929 H6 H6 H 0 1 N N N -20.002 19.334 -1.974 0.351 -0.322 -3.680 H6 929 82 929 H6A H6A H 0 1 N N N -19.934 18.331 -0.502 -1.390 -0.664 -3.540 H6A 929 83 929 H20 H20 H 0 1 N N N -21.499 18.603 1.124 -0.158 1.909 -4.547 H20 929 84 929 H20A H20A H 0 0 N N N -20.422 20.079 1.223 -1.899 1.566 -4.407 H20A 929 85 929 H26 H26 H 0 1 N N N -23.790 20.619 -0.129 0.795 3.918 -3.575 H26 929 86 929 H24 H24 H 0 1 N N N -25.136 22.328 3.585 -1.892 6.998 -2.347 H24 929 87 929 H22 H22 H 0 1 N N N -21.357 20.375 3.363 -3.377 3.100 -3.249 H22 929 88 929 H1 H1 H 0 1 N N N -17.636 19.003 -1.027 1.776 -0.346 -1.571 H1 929 89 929 HO1 HO1 H 0 1 N N N -17.684 21.612 -2.213 -0.286 1.087 -0.114 HO1 929 90 929 H3 H3 H 0 1 N N N -16.462 21.731 -0.484 0.246 -1.048 0.974 H3 929 91 929 H3A H3A H 0 1 N N N -16.857 20.584 0.897 1.337 -2.154 0.105 H3A 929 92 929 H2 H2 H 0 1 N N N -15.273 19.382 -1.292 2.172 0.576 1.179 H2 929 93 929 H7 H7 H 0 1 N N N -13.915 21.283 -1.441 2.713 -2.200 2.325 H7 929 94 929 H7A H7A H 0 1 N N N -14.486 21.933 0.133 3.269 -0.647 2.994 H7A 929 95 929 H7B H7B H 0 1 N N N -13.247 20.632 0.094 1.534 -1.043 2.990 H7B 929 96 929 HN2 HN2 H 0 1 N N N -14.743 17.369 -0.288 4.814 0.195 1.550 HN2 929 97 929 H8 H8 H 0 1 N N N -15.411 16.717 2.295 5.918 -1.496 -0.559 H8 929 98 929 H10 H10 H 0 1 N N N -13.163 15.340 2.124 7.071 0.433 -1.664 H10 929 99 929 H12 H12 H 0 1 N N N -15.115 13.642 0.964 4.036 0.734 -1.602 H12 929 100 929 H12A H12A H 0 0 N N N -14.392 13.682 2.608 5.129 1.191 -2.931 H12A 929 101 929 H12B H12B H 0 0 N N N -15.837 14.683 2.237 4.900 -0.525 -2.516 H12B 929 102 929 H11 H11 H 0 1 N N N -14.019 15.175 -0.729 6.958 2.000 0.255 H11 929 103 929 H11A H11A H 0 0 N N N -12.595 16.066 -0.092 6.233 2.721 -1.203 H11A 929 104 929 H11B H11B H 0 0 N N N -12.707 14.285 0.114 5.188 2.078 0.086 H11B 929 105 929 HN3 HN3 H 0 1 N N N -13.996 16.654 4.275 8.432 -1.403 -0.452 HN3 929 106 929 H13 H13 H 0 1 N N N -12.004 16.906 5.474 9.752 -0.129 1.696 H13 929 107 929 H13A H13A H 0 0 N N N -11.329 17.865 4.076 9.184 -1.722 2.252 H13A 929 108 929 H19 H19 H 0 1 N N N -14.251 18.163 6.439 11.440 0.051 -0.040 H19 929 109 929 H18 H18 H 0 1 N N N -14.776 20.265 7.632 13.353 -1.022 -1.159 H18 929 110 929 H17 H17 H 0 1 N N N -13.381 22.286 7.237 13.629 -3.466 -1.052 H17 929 111 929 H16 H16 H 0 1 N N N -11.389 22.154 5.749 11.993 -4.838 0.175 H16 929 112 929 H15 H15 H 0 1 N N N -10.859 20.012 4.592 10.084 -3.764 1.301 H15 929 113 # # 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 929 O6 C34 DOUB N N 1 929 C34 N4 SING N N 2 929 C34 C30 SING N N 3 929 N4 C35 SING N N 4 929 C35 C36 SING N N 5 929 C35 C37 SING N N 6 929 C36 C42 DOUB Y N 7 929 C36 C38 SING Y N 8 929 C42 C41 SING Y N 9 929 C41 C40 DOUB Y N 10 929 C40 C39 SING Y N 11 929 C39 C38 DOUB Y N 12 929 C30 C31 DOUB Y N 13 929 C30 C29 SING Y N 14 929 C31 C32 SING Y N 15 929 C32 N5 SING N N 16 929 C32 C33 DOUB Y N 17 929 N5 S SING N N 18 929 N5 C43 SING N N 19 929 S O8 DOUB N N 20 929 S C44 SING N N 21 929 S O7 DOUB N N 22 929 C33 C27 SING Y N 23 929 C29 C27 DOUB Y N 24 929 C27 C28 SING N N 25 929 C28 O5 DOUB N N 26 929 C28 N1 SING N N 27 929 N1 C5 SING N N 28 929 C5 C6 SING N N 29 929 C5 C1 SING N N 30 929 C6 O2 SING N N 31 929 O2 C20 SING N N 32 929 C20 C21 SING N N 33 929 C21 C26 DOUB Y N 34 929 C21 C22 SING Y N 35 929 C26 C25 SING Y N 36 929 C25 F1 SING N N 37 929 C25 C24 DOUB Y N 38 929 C24 C23 SING Y N 39 929 C23 F2 SING N N 40 929 C23 C22 DOUB Y N 41 929 C1 O1 SING N N 42 929 C1 C3 SING N N 43 929 C3 C2 SING N N 44 929 C2 C7 SING N N 45 929 C2 C4 SING N N 46 929 C4 O3 DOUB N N 47 929 C4 N2 SING N N 48 929 N2 C8 SING N N 49 929 C8 C10 SING N N 50 929 C8 C9 SING N N 51 929 C10 C12 SING N N 52 929 C10 C11 SING N N 53 929 C9 O4 DOUB N N 54 929 C9 N3 SING N N 55 929 N3 C13 SING N N 56 929 C13 C14 SING N N 57 929 C14 C19 DOUB Y N 58 929 C14 C15 SING Y N 59 929 C19 C18 SING Y N 60 929 C18 C17 DOUB Y N 61 929 C17 C16 SING Y N 62 929 C16 C15 DOUB Y N 63 929 N4 HN4 SING N N 64 929 C35 H35 SING N N 65 929 C42 H42 SING N N 66 929 C41 H41 SING N N 67 929 C40 H40 SING N N 68 929 C39 H39 SING N N 69 929 C38 H38 SING N N 70 929 C37 H37 SING N N 71 929 C37 H37A SING N N 72 929 C37 H37B SING N N 73 929 C31 H31 SING N N 74 929 C44 H44 SING N N 75 929 C44 H44A SING N N 76 929 C44 H44B SING N N 77 929 C43 H43 SING N N 78 929 C43 H43A SING N N 79 929 C43 H43B SING N N 80 929 C33 H33 SING N N 81 929 C29 H29 SING N N 82 929 N1 HN1 SING N N 83 929 C5 H5 SING N N 84 929 C6 H6 SING N N 85 929 C6 H6A SING N N 86 929 C20 H20 SING N N 87 929 C20 H20A SING N N 88 929 C26 H26 SING N N 89 929 C24 H24 SING N N 90 929 C22 H22 SING N N 91 929 C1 H1 SING N N 92 929 O1 HO1 SING N N 93 929 C3 H3 SING N N 94 929 C3 H3A SING N N 95 929 C2 H2 SING N N 96 929 C7 H7 SING N N 97 929 C7 H7A SING N N 98 929 C7 H7B SING N N 99 929 N2 HN2 SING N N 100 929 C8 H8 SING N N 101 929 C10 H10 SING N N 102 929 C12 H12 SING N N 103 929 C12 H12A SING N N 104 929 C12 H12B SING N N 105 929 C11 H11 SING N N 106 929 C11 H11A SING N N 107 929 C11 H11B SING N N 108 929 N3 HN3 SING N N 109 929 C13 H13 SING N N 110 929 C13 H13A SING N N 111 929 C19 H19 SING N N 112 929 C18 H18 SING N N 113 929 C17 H17 SING N N 114 929 C16 H16 SING N N 115 929 C15 H15 SING N N 116 # # 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 929 SMILES ACDLabs 10.04 "O=S(=O)(N(c1cc(cc(c1)C(=O)NC(C(O)CC(C(=O)NC(C(=O)NCc2ccccc2)C(C)C)C)COCc3cc(F)cc(F)c3)C(=O)NC(c4ccccc4)C)C)C" 929 SMILES_CANONICAL CACTVS 3.341 "CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)NCc4ccccc4" 929 SMILES CACTVS 3.341 "CC(C)[CH](NC(=O)[CH](C)C[CH](O)[CH](COCc1cc(F)cc(F)c1)NC(=O)c2cc(cc(c2)C(=O)N[CH](C)c3ccccc3)N(C)[S](C)(=O)=O)C(=O)NCc4ccccc4" 929 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O" 929 SMILES "OpenEye OEToolkits" 1.5.0 "CC(C)C(C(=O)NCc1ccccc1)NC(=O)C(C)CC(C(COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccccc4)O" 929 InChI InChI 1.03 "InChI=1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1" 929 InChIKey InChI 1.03 SQCCLROLILAOBD-MLLWAOEYSA-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 929 "SYSTEMATIC NAME" ACDLabs 10.04 "N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-1-{[(3,5-difluorobenzyl)oxy]methyl}-2-hydroxy-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide (non-preferred name)" 929 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-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 929 "Create component" 2008-09-30 PDBJ 929 "Modify aromatic_flag" 2011-06-04 RCSB 929 "Modify descriptor" 2011-06-04 RCSB 929 "Modify synonyms" 2021-03-13 RCSB # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 929 _pdbx_chem_comp_synonyms.name "N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-BENZYLOXYMETHYL)-2-HYDROXY-PENTYL]-5-[Methyl(METHANESULFONYL)Amino]-N'-(1-PHENYL-ETHYL)-ISOPHTHALAMIDE" _pdbx_chem_comp_synonyms.provenance PDB _pdbx_chem_comp_synonyms.type ? ##