data_G6M # _chem_comp.id G6M _chem_comp.name "2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C16 H19 Cl F N3 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "oxazolidinone antibiotic LZD-6" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-05-10 _chem_comp.pdbx_modified_date 2021-03-01 _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 371.791 _chem_comp.one_letter_code ? _chem_comp.three_letter_code G6M _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 6DDG _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 G6M C6 C1 C 0 1 Y N N 209.870 187.077 171.538 3.047 0.915 -0.695 C6 G6M 1 G6M C5 C2 C 0 1 Y N N 210.210 186.817 170.226 1.699 0.727 -0.930 C5 G6M 2 G6M C4 C3 C 0 1 Y N N 210.590 187.853 169.393 1.048 -0.378 -0.397 C4 G6M 3 G6M C3 C4 C 0 1 Y N N 210.619 189.147 169.876 1.752 -1.294 0.372 C3 G6M 4 G6M C2 C5 C 0 1 Y N N 210.283 189.406 171.190 3.101 -1.107 0.608 C2 G6M 5 G6M C1 C6 C 0 1 Y N N 209.907 188.374 172.017 3.752 -0.001 0.074 C1 G6M 6 G6M C10 C7 C 0 1 N N S 210.632 187.411 165.831 -2.566 -0.351 -1.363 C10 G6M 7 G6M C12 C8 C 0 1 N N N 211.745 186.641 167.695 -1.057 -1.589 -0.178 C12 G6M 8 G6M C15 C9 C 0 1 N N N 210.535 188.276 174.369 5.884 0.122 -0.947 C15 G6M 9 G6M C16 C10 C 0 1 N N N 210.515 189.293 175.503 7.376 0.272 -0.640 C16 G6M 10 G6M C18 C11 C 0 1 N N N 208.625 190.349 174.605 6.864 1.597 1.289 C18 G6M 11 G6M C19 C12 C 0 1 N N N 208.294 189.219 173.658 5.367 1.460 1.001 C19 G6M 12 G6M C20 C13 C 0 1 N N N 209.337 186.746 165.366 -3.582 0.577 -0.693 C20 G6M 13 G6M C30 C14 C 0 1 N N N 207.178 185.965 166.132 -5.914 0.506 0.010 C30 G6M 14 G6M C31 C15 C 0 1 N N N 206.260 185.575 167.270 -7.232 -0.211 0.150 C31 G6M 15 G6M C9 C16 C 0 1 N N N 210.426 188.394 166.982 -1.181 0.323 -1.429 C9 G6M 16 G6M F7 F1 F 0 1 N N N 210.316 190.660 171.661 3.787 -1.999 1.356 F7 G6M 17 G6M N14 N1 N 0 1 N N N 209.573 188.635 173.341 5.121 0.187 0.308 N14 G6M 18 G6M N29 N2 N 0 1 N N N 208.425 186.323 166.414 -4.863 -0.120 -0.557 N29 G6M 19 G6M N8 N3 N 0 1 N N N 210.939 187.605 168.068 -0.320 -0.567 -0.636 N8 G6M 20 G6M O11 O1 O 0 1 N N N 211.595 186.430 166.271 -2.342 -1.537 -0.548 O11 G6M 21 G6M O13 O2 O 0 1 N N N 212.517 186.009 168.390 -0.600 -2.480 0.510 O13 G6M 22 G6M O17 O3 O 0 1 N N N 209.209 189.784 175.768 7.591 1.500 0.062 O17 G6M 23 G6M O32 O4 O 0 1 N N N 206.758 185.941 164.988 -5.798 1.646 0.406 O32 G6M 24 G6M CL33 CL1 CL 0 0 N N N 206.293 186.734 168.632 -8.429 0.882 0.939 CL33 G6M 25 G6M H6 H1 H 0 1 N N N 209.575 186.268 172.190 3.554 1.772 -1.113 H6 G6M 26 G6M H5 H2 H 0 1 N N N 210.179 185.805 169.850 1.151 1.440 -1.528 H5 G6M 27 G6M H3 H3 H 0 1 N N N 210.905 189.959 169.224 1.245 -2.153 0.787 H3 G6M 28 G6M H10 H4 H 0 1 N N N 211.051 187.968 164.980 -2.902 -0.631 -2.361 H10 G6M 29 G6M H15 H5 H 0 1 N N N 210.282 187.283 174.770 5.565 0.928 -1.609 H15 G6M 30 G6M H151 H6 H 0 0 N N N 211.542 188.247 173.927 5.707 -0.838 -1.432 H151 G6M 31 G6M H16 H7 H 0 1 N N N 210.904 188.814 176.414 7.706 -0.563 -0.022 H16 G6M 32 G6M H161 H8 H 0 0 N N N 211.162 190.140 175.229 7.940 0.282 -1.572 H161 G6M 33 G6M H18 H9 H 0 1 N N N 209.335 191.041 174.128 7.059 2.564 1.752 H18 G6M 34 G6M H181 H10 H 0 0 N N N 207.707 190.893 174.874 7.180 0.801 1.963 H181 G6M 35 G6M H191 H11 H 0 0 N N N 207.805 189.602 172.750 4.812 1.476 1.939 H191 G6M 36 G6M H19 H12 H 0 1 N N N 207.639 188.482 174.145 5.040 2.287 0.371 H19 G6M 37 G6M H20 H13 H 0 1 N N N 208.803 187.462 164.724 -3.217 0.863 0.293 H20 G6M 38 G6M H201 H14 H 0 0 N N N 209.608 185.857 164.777 -3.717 1.469 -1.304 H201 G6M 39 G6M H311 H15 H 0 0 N N N 205.231 185.517 166.885 -7.596 -0.497 -0.837 H311 G6M 40 G6M H31 H16 H 0 1 N N N 206.567 184.587 167.644 -7.097 -1.104 0.761 H31 G6M 41 G6M H91 H17 H 0 1 N N N 211.004 189.319 166.839 -0.831 0.376 -2.460 H91 G6M 42 G6M H9 H18 H 0 1 N N N 209.364 188.643 167.123 -1.217 1.317 -0.984 H9 G6M 43 G6M HN29 H19 H 0 0 N N N 208.741 186.301 167.362 -4.955 -1.032 -0.874 HN29 G6M 44 # # 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 G6M O32 C30 DOUB N N 1 G6M C20 C10 SING N N 2 G6M C20 N29 SING N N 3 G6M C10 O11 SING N N 4 G6M C10 C9 SING N N 5 G6M C30 N29 SING N N 6 G6M C30 C31 SING N N 7 G6M O11 C12 SING N N 8 G6M C9 N8 SING N N 9 G6M C31 CL33 SING N N 10 G6M C12 N8 SING N N 11 G6M C12 O13 DOUB N N 12 G6M N8 C4 SING N N 13 G6M C4 C3 DOUB Y N 14 G6M C4 C5 SING Y N 15 G6M C3 C2 SING Y N 16 G6M C5 C6 DOUB Y N 17 G6M C2 F7 SING N N 18 G6M C2 C1 DOUB Y N 19 G6M C6 C1 SING Y N 20 G6M C1 N14 SING N N 21 G6M N14 C19 SING N N 22 G6M N14 C15 SING N N 23 G6M C19 C18 SING N N 24 G6M C15 C16 SING N N 25 G6M C18 O17 SING N N 26 G6M C16 O17 SING N N 27 G6M C6 H6 SING N N 28 G6M C5 H5 SING N N 29 G6M C3 H3 SING N N 30 G6M C10 H10 SING N N 31 G6M C15 H15 SING N N 32 G6M C15 H151 SING N N 33 G6M C16 H16 SING N N 34 G6M C16 H161 SING N N 35 G6M C18 H18 SING N N 36 G6M C18 H181 SING N N 37 G6M C19 H191 SING N N 38 G6M C19 H19 SING N N 39 G6M C20 H20 SING N N 40 G6M C20 H201 SING N N 41 G6M C31 H311 SING N N 42 G6M C31 H31 SING N N 43 G6M C9 H91 SING N N 44 G6M C9 H9 SING N N 45 G6M N29 HN29 SING N N 46 # # 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 G6M SMILES ACDLabs 12.01 "c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3" G6M InChI InChI 1.03 "InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1" G6M InChIKey InChI 1.03 BLEAWUVPPDXJFJ-LBPRGKRZSA-N G6M SMILES_CANONICAL CACTVS 3.385 "Fc1cc(ccc1N2CCOCC2)N3C[C@H](CNC(=O)CCl)OC3=O" G6M SMILES CACTVS 3.385 "Fc1cc(ccc1N2CCOCC2)N3C[CH](CNC(=O)CCl)OC3=O" G6M SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N3CCOCC3" G6M SMILES "OpenEye OEToolkits" 2.0.6 "c1cc(c(cc1N2CC(OC2=O)CNC(=O)CCl)F)N3CCOCC3" # # 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 G6M "SYSTEMATIC NAME" ACDLabs 12.01 "2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide" G6M "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "2-chloranyl-~{N}-[[(5~{S})-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site G6M "Create component" 2018-05-10 RCSB G6M "Initial release" 2019-03-20 RCSB G6M "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id G6M _pdbx_chem_comp_synonyms.name "oxazolidinone antibiotic LZD-6" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##