data_FH1 # _chem_comp.id FH1 _chem_comp.name "N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C37 H50 N6 O9 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-03-30 _chem_comp.pdbx_modified_date 2018-08-03 _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 754.893 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FH1 _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 6CVW _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 FH1 C13 C1 C 0 1 N N S -13.570 -9.822 14.196 -0.299 -1.530 -2.303 C13 FH1 1 FH1 C21 C2 C 0 1 N N N -20.001 -11.773 16.275 -8.043 0.401 0.112 C21 FH1 2 FH1 C22 C3 C 0 1 N N N -21.150 -11.553 17.370 -8.435 0.507 1.600 C22 FH1 3 FH1 C24 C4 C 0 1 N N N -17.613 -7.708 12.703 -2.807 -0.206 1.294 C24 FH1 4 FH1 C26 C5 C 0 1 N N N -18.896 -7.985 11.890 -3.704 0.778 2.047 C26 FH1 5 FH1 C01 C6 C 0 1 N N N -15.997 -8.920 14.150 -2.366 -1.250 -0.911 C01 FH1 6 FH1 C02 C7 C 0 1 N N R -13.820 -11.679 12.942 0.485 0.750 -2.080 C02 FH1 7 FH1 C03 C8 C 0 1 N N N -12.849 -10.833 13.270 0.694 -0.530 -2.932 C03 FH1 8 FH1 C04 C9 C 0 1 N N N -15.113 -10.755 12.663 -1.037 0.689 -1.795 C04 FH1 9 FH1 C05 C10 C 0 1 N N N -14.558 -3.746 14.802 0.657 -5.303 2.291 C05 FH1 10 FH1 C06 C11 C 0 1 N N N -13.513 -4.187 15.531 1.504 -5.534 1.319 C06 FH1 11 FH1 C07 C12 C 0 1 N N S -13.492 -5.675 15.957 1.146 -5.163 -0.097 C07 FH1 12 FH1 C08 C13 C 0 1 N N N -12.553 -6.098 17.067 2.083 -5.637 -1.209 C08 FH1 13 FH1 C09 C14 C 0 1 N N R -12.243 -6.511 15.632 2.050 -4.159 -0.815 C09 FH1 14 FH1 C11 C15 C 0 1 N N N -13.159 -8.402 14.157 0.422 -2.419 -1.322 C11 FH1 15 FH1 C16 C16 C 0 1 N N S -17.387 -8.998 13.514 -3.286 -0.328 -0.154 C16 FH1 16 FH1 C18 C17 C 0 1 N N N -18.680 -10.504 14.907 -5.703 -0.046 -0.030 C18 FH1 17 FH1 C23 C18 C 0 1 N N N -18.913 -12.572 17.039 -9.291 -0.099 -0.637 C23 FH1 18 FH1 C25 C19 C 0 1 N N N -17.781 -6.462 13.589 -1.364 0.301 1.314 C25 FH1 19 FH1 C27 C20 C 0 1 N N N -16.494 -7.384 11.692 -2.875 -1.577 1.971 C27 FH1 20 FH1 C29 C21 C 0 1 Y N N -13.693 -13.646 14.259 1.289 2.984 -2.125 C29 FH1 21 FH1 C30 C22 C 0 1 Y N N -13.960 -14.392 15.533 1.635 4.165 -2.799 C30 FH1 22 FH1 C31 C23 C 0 1 N N N -14.968 -13.865 16.530 1.488 4.238 -4.297 C31 FH1 23 FH1 C33 C24 C 0 1 Y N N -12.299 -16.041 14.858 2.217 5.144 -0.809 C33 FH1 24 FH1 C34 C25 C 0 1 Y N N -11.566 -17.339 15.186 2.696 6.245 -0.078 C34 FH1 25 FH1 C35 C26 C 0 1 Y N N -10.580 -17.817 14.189 2.820 6.157 1.273 C35 FH1 26 FH1 C36 C27 C 0 1 Y N N -10.318 -17.038 12.931 2.477 4.983 1.951 C36 FH1 27 FH1 C37 C28 C 0 1 Y N N -11.048 -15.763 12.560 2.008 3.894 1.272 C37 FH1 28 FH1 C38 C29 C 0 1 Y N N -12.057 -15.296 13.587 1.868 3.952 -0.124 C38 FH1 29 FH1 C41 C30 C 0 1 N N N -9.155 -16.895 10.896 3.108 6.094 3.955 C41 FH1 30 FH1 C42 C31 C 0 1 N N N -11.042 -5.838 15.078 3.231 -3.616 -0.051 C42 FH1 31 FH1 C48 C32 C 0 1 N N N -8.382 -7.017 12.244 5.373 -1.199 0.107 C48 FH1 32 FH1 C49 C33 C 0 1 N N N -7.287 -7.929 12.737 6.682 -0.486 0.449 C49 FH1 33 FH1 C50 C34 C 0 1 N N N -6.929 -6.733 11.877 5.471 0.323 -0.019 C50 FH1 34 FH1 C51 C35 C 0 1 N N N -20.376 -11.351 18.473 -9.976 0.663 1.577 C51 FH1 35 FH1 C52 C36 C 0 1 N N N -19.216 -12.495 18.378 -10.398 -0.280 0.423 C52 FH1 36 FH1 C53 C37 C 0 1 N N N -9.379 -7.544 11.215 5.329 -2.014 -1.187 C53 FH1 37 FH1 N10 N1 N 0 1 N N N -12.567 -7.890 15.372 1.416 -3.224 -1.747 N10 FH1 38 FH1 N14 N2 N 0 1 N N N -14.989 -9.842 13.633 -1.328 -0.744 -1.607 N14 FH1 39 FH1 N17 N3 N 0 1 N N N -18.343 -9.161 14.544 -4.647 -0.871 -0.174 N17 FH1 40 FH1 N32 N4 N 0 1 Y N N -13.256 -15.581 15.827 2.085 5.205 -2.139 N32 FH1 41 FH1 N39 N5 N 0 1 Y N N -12.749 -14.080 13.285 1.410 2.901 -0.815 N39 FH1 42 FH1 N44 N6 N 0 1 N N N -10.344 -6.646 14.129 3.076 -2.552 0.761 N44 FH1 43 FH1 O12 O1 O 0 1 N N N -13.277 -7.686 13.201 0.107 -2.411 -0.151 O12 FH1 44 FH1 O15 O2 O 0 1 N N N -15.747 -8.167 15.053 -2.559 -2.447 -0.895 O15 FH1 45 FH1 O19 O3 O 0 1 N N N -18.281 -11.455 14.324 -5.527 1.147 0.117 O19 FH1 46 FH1 O20 O4 O 0 1 N N N -19.519 -10.582 15.987 -6.953 -0.545 -0.049 O20 FH1 47 FH1 O28 O5 O 0 1 N N N -14.369 -12.462 14.049 0.820 1.922 -2.825 O28 FH1 48 FH1 O40 O6 O 0 1 N N N -9.425 -17.618 12.092 2.612 4.924 3.301 O40 FH1 49 FH1 O43 O7 O 0 1 N N N -10.670 -4.775 15.432 4.320 -4.137 -0.168 O43 FH1 50 FH1 O46 O8 O 0 1 N N N -7.976 -5.487 14.392 5.073 -2.957 2.092 O46 FH1 51 FH1 O47 O9 O 0 1 N N N -9.523 -4.761 12.707 3.858 -0.809 2.269 O47 FH1 52 FH1 S45 S1 S 0 1 N N N -9.036 -5.910 13.487 4.397 -1.864 1.485 S45 FH1 53 FH1 H131 H1 H 0 0 N N N -13.569 -10.199 15.229 -0.759 -2.136 -3.083 H131 FH1 54 FH1 H211 H2 H 0 0 N N N -20.388 -12.344 15.418 -7.748 1.380 -0.267 H211 FH1 55 FH1 H221 H3 H 0 0 N N N -21.773 -10.676 17.140 -8.151 -0.399 2.135 H221 FH1 56 FH1 H222 H4 H 0 0 N N N -21.791 -12.441 17.476 -7.970 1.382 2.056 H222 FH1 57 FH1 H261 H5 H 0 0 N N N -19.722 -8.221 12.577 -4.732 0.417 2.034 H261 FH1 58 FH1 H262 H6 H 0 0 N N N -19.155 -7.094 11.298 -3.363 0.865 3.079 H262 FH1 59 FH1 H263 H7 H 0 0 N N N -18.725 -8.837 11.215 -3.656 1.755 1.566 H263 FH1 60 FH1 H021 H8 H 0 0 N N N -13.605 -12.301 12.061 1.058 0.701 -1.154 H021 FH1 61 FH1 H032 H9 H 0 0 N N N -12.037 -11.349 13.804 1.718 -0.892 -2.838 H032 FH1 62 FH1 H031 H10 H 0 0 N N N -12.442 -10.333 12.379 0.444 -0.343 -3.976 H031 FH1 63 FH1 H041 H11 H 0 0 N N N -15.072 -10.293 11.666 -1.276 1.247 -0.890 H041 FH1 64 FH1 H042 H12 H 0 0 N N N -16.047 -11.327 12.764 -1.597 1.082 -2.643 H042 FH1 65 FH1 H052 H13 H 0 0 N N N -15.352 -4.426 14.530 0.913 -5.568 3.306 H052 FH1 66 FH1 H051 H14 H 0 0 N N N -14.601 -2.713 14.490 -0.299 -4.847 2.077 H051 FH1 67 FH1 H061 H15 H 0 0 N N N -12.711 -3.519 15.810 2.460 -5.989 1.533 H061 FH1 68 FH1 H071 H16 H 0 0 N N N -14.455 -6.204 15.901 0.079 -5.128 -0.318 H071 FH1 69 FH1 H081 H17 H 0 0 N N N -12.874 -6.855 17.798 2.959 -6.216 -0.917 H081 FH1 70 FH1 H082 H18 H 0 0 N N N -11.925 -5.347 17.569 1.633 -5.914 -2.163 H082 FH1 71 FH1 H161 H19 H 0 0 N N N -17.414 -9.856 12.826 -3.280 0.656 -0.622 H161 FH1 72 FH1 H231 H20 H 0 0 N N N -18.917 -13.622 16.712 -9.601 0.636 -1.379 H231 FH1 73 FH1 H232 H21 H 0 0 N N N -17.922 -12.133 16.851 -9.078 -1.052 -1.121 H232 FH1 74 FH1 H253 H22 H 0 0 N N N -18.572 -6.643 14.331 -1.330 1.316 0.919 H253 FH1 75 FH1 H251 H23 H 0 0 N N N -16.834 -6.250 14.107 -0.991 0.297 2.338 H251 FH1 76 FH1 H252 H24 H 0 0 N N N -18.056 -5.601 12.962 -0.742 -0.349 0.699 H252 FH1 77 FH1 H272 H25 H 0 0 N N N -15.558 -7.179 12.233 -2.236 -2.279 1.434 H272 FH1 78 FH1 H271 H26 H 0 0 N N N -16.348 -8.242 11.019 -2.534 -1.491 3.002 H271 FH1 79 FH1 H273 H27 H 0 0 N N N -16.777 -6.500 11.103 -3.903 -1.939 1.957 H273 FH1 80 FH1 H313 H28 H 0 0 N N N -15.007 -14.535 17.402 0.491 4.602 -4.548 H313 FH1 81 FH1 H311 H29 H 0 0 N N N -14.670 -12.857 16.855 2.236 4.920 -4.703 H311 FH1 82 FH1 H312 H30 H 0 0 N N N -15.961 -13.819 16.058 1.631 3.246 -4.726 H312 FH1 83 FH1 H341 H31 H 0 0 N N N -11.757 -17.882 16.100 2.965 7.158 -0.588 H341 FH1 84 FH1 H351 H32 H 0 0 N N N -10.043 -18.737 14.369 3.189 7.006 1.830 H351 FH1 85 FH1 H371 H33 H 0 0 N N N -10.863 -15.231 11.638 1.747 2.993 1.806 H371 FH1 86 FH1 H412 H34 H 0 0 N N N -8.423 -17.448 10.290 3.167 5.913 5.029 H412 FH1 87 FH1 H411 H35 H 0 0 N N N -10.086 -16.772 10.324 4.100 6.332 3.572 H411 FH1 88 FH1 H413 H36 H 0 0 N N N -8.747 -15.905 11.150 2.434 6.930 3.765 H413 FH1 89 FH1 H491 H37 H 0 0 N N N -7.195 -8.946 12.328 6.958 -0.416 1.501 H491 FH1 90 FH1 H492 H38 H 0 0 N N N -7.019 -7.937 13.804 7.513 -0.597 -0.249 H492 FH1 91 FH1 H501 H39 H 0 0 N N N -6.582 -6.881 10.844 5.504 0.744 -1.024 H501 FH1 92 FH1 H502 H40 H 0 0 N N N -6.407 -5.872 12.320 4.949 0.924 0.726 H502 FH1 93 FH1 H512 H41 H 0 0 N N N -19.931 -10.345 18.456 -10.412 0.337 2.521 H512 FH1 94 FH1 H511 H42 H 0 0 N N N -20.969 -11.475 19.391 -10.257 1.694 1.360 H511 FH1 95 FH1 H522 H43 H 0 0 N N N -19.592 -13.461 18.747 -11.365 0.020 0.019 H522 FH1 96 FH1 H521 H44 H 0 0 N N N -18.331 -12.199 18.960 -10.431 -1.313 0.767 H521 FH1 97 FH1 H531 H45 H 0 0 N N N -10.362 -7.677 11.691 6.083 -2.800 -1.147 H531 FH1 98 FH1 H532 H46 H 0 0 N N N -9.467 -6.824 10.388 4.342 -2.462 -1.300 H532 FH1 99 FH1 H533 H47 H 0 0 N N N -9.027 -8.510 10.825 5.530 -1.360 -2.035 H533 FH1 100 FH1 H101 H48 H 0 0 N N N -12.365 -8.551 16.095 1.712 -3.184 -2.670 H101 FH1 101 FH1 H171 H49 H 0 0 N N N -18.764 -8.375 14.997 -4.787 -1.823 -0.292 H171 FH1 102 FH1 H441 H50 H 0 0 N N N -10.629 -7.572 13.882 2.191 -2.189 0.922 H441 FH1 103 # 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 FH1 C41 O40 SING N N 1 FH1 C53 C48 SING N N 2 FH1 C27 C24 SING N N 3 FH1 C50 C48 SING N N 4 FH1 C50 C49 SING N N 5 FH1 C26 C24 SING N N 6 FH1 O40 C36 SING N N 7 FH1 C48 C49 SING N N 8 FH1 C48 S45 SING N N 9 FH1 C37 C36 DOUB Y N 10 FH1 C37 C38 SING Y N 11 FH1 C04 C02 SING N N 12 FH1 C04 N14 SING N N 13 FH1 C24 C16 SING N N 14 FH1 C24 C25 SING N N 15 FH1 O47 S45 DOUB N N 16 FH1 C36 C35 SING Y N 17 FH1 C02 C03 SING N N 18 FH1 C02 O28 SING N N 19 FH1 O12 C11 DOUB N N 20 FH1 C03 C13 SING N N 21 FH1 N39 C38 DOUB Y N 22 FH1 N39 C29 SING Y N 23 FH1 S45 N44 SING N N 24 FH1 S45 O46 DOUB N N 25 FH1 C16 C01 SING N N 26 FH1 C16 N17 SING N N 27 FH1 C38 C33 SING Y N 28 FH1 N14 C01 SING N N 29 FH1 N14 C13 SING N N 30 FH1 O28 C29 SING N N 31 FH1 N44 C42 SING N N 32 FH1 C01 O15 DOUB N N 33 FH1 C11 C13 SING N N 34 FH1 C11 N10 SING N N 35 FH1 C35 C34 DOUB Y N 36 FH1 C29 C30 DOUB Y N 37 FH1 O19 C18 DOUB N N 38 FH1 N17 C18 SING N N 39 FH1 C05 C06 DOUB N N 40 FH1 C33 C34 SING Y N 41 FH1 C33 N32 DOUB Y N 42 FH1 C18 O20 SING N N 43 FH1 C42 O43 DOUB N N 44 FH1 C42 C09 SING N N 45 FH1 N10 C09 SING N N 46 FH1 C06 C07 SING N N 47 FH1 C30 N32 SING Y N 48 FH1 C30 C31 SING N N 49 FH1 C09 C07 SING N N 50 FH1 C09 C08 SING N N 51 FH1 C07 C08 SING N N 52 FH1 O20 C21 SING N N 53 FH1 C21 C23 SING N N 54 FH1 C21 C22 SING N N 55 FH1 C23 C52 SING N N 56 FH1 C22 C51 SING N N 57 FH1 C52 C51 SING N N 58 FH1 C13 H131 SING N N 59 FH1 C21 H211 SING N N 60 FH1 C22 H221 SING N N 61 FH1 C22 H222 SING N N 62 FH1 C26 H261 SING N N 63 FH1 C26 H262 SING N N 64 FH1 C26 H263 SING N N 65 FH1 C02 H021 SING N N 66 FH1 C03 H032 SING N N 67 FH1 C03 H031 SING N N 68 FH1 C04 H041 SING N N 69 FH1 C04 H042 SING N N 70 FH1 C05 H052 SING N N 71 FH1 C05 H051 SING N N 72 FH1 C06 H061 SING N N 73 FH1 C07 H071 SING N N 74 FH1 C08 H081 SING N N 75 FH1 C08 H082 SING N N 76 FH1 C16 H161 SING N N 77 FH1 C23 H231 SING N N 78 FH1 C23 H232 SING N N 79 FH1 C25 H253 SING N N 80 FH1 C25 H251 SING N N 81 FH1 C25 H252 SING N N 82 FH1 C27 H272 SING N N 83 FH1 C27 H271 SING N N 84 FH1 C27 H273 SING N N 85 FH1 C31 H313 SING N N 86 FH1 C31 H311 SING N N 87 FH1 C31 H312 SING N N 88 FH1 C34 H341 SING N N 89 FH1 C35 H351 SING N N 90 FH1 C37 H371 SING N N 91 FH1 C41 H412 SING N N 92 FH1 C41 H411 SING N N 93 FH1 C41 H413 SING N N 94 FH1 C49 H491 SING N N 95 FH1 C49 H492 SING N N 96 FH1 C50 H501 SING N N 97 FH1 C50 H502 SING N N 98 FH1 C51 H512 SING N N 99 FH1 C51 H511 SING N N 100 FH1 C52 H522 SING N N 101 FH1 C52 H521 SING N N 102 FH1 C53 H531 SING N N 103 FH1 C53 H532 SING N N 104 FH1 C53 H533 SING N N 105 FH1 N10 H101 SING N N 106 FH1 N17 H171 SING N N 107 FH1 N44 H441 SING N N 108 # 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 FH1 SMILES ACDLabs 12.01 "C3(CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C)(C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O)NS(C6(CC6)C)(=O)=O)=O" FH1 InChI InChI 1.03 ;InChI=1S/C37H50N6O9S/c1-8-22-19-37(22,33(46)42-53(48,49)36(6)15-16-36)41-30(44)28-18-25(51-31-21(2)38-26-14-13-24(50-7)17-27(26)39-31)20-43(28)32(45)29(35(3,4)5)40-34(47)52-23-11-9-10-12-23/h8,13-14,17,22-23,25,28-29H,1,9-12,15-16,18-20H2,2-7H3,(H,40,47)(H,41,44)(H,42,46)/t22-,25-,28+,29-,37-/m1/s1 ; FH1 InChIKey InChI 1.03 XMUMASNXHDVGQJ-LCWNRMNXSA-N FH1 SMILES_CANONICAL CACTVS 3.385 "COc1ccc2nc(C)c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1" FH1 SMILES CACTVS 3.385 "COc1ccc2nc(C)c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1" FH1 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C" FH1 SMILES "OpenEye OEToolkits" 2.0.6 "Cc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC4CCCC4)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6)C" # 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 FH1 "SYSTEMATIC NAME" ACDLabs 12.01 "N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide" FH1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "cyclopentyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{S})-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(7-methoxy-3-methyl-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site FH1 "Create component" 2018-03-30 RCSB FH1 "Initial release" 2018-08-08 RCSB #