![7UW 7UW](https://data.pdbj.org/pdbjplus/data/cc/svg/7UW.svg) | 7UW | Name: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal | Formula: | C15 H12 F3 N O2 | SMILES: | Fc1cc(F)c(OCc2ccnc(F)c2)c(CCC=O)c1 | InChi: | InChI=1S/C15H12F3NO2/c16-12-7-11(2-1-5-20)15(13(17)8-12)21-9-10-3-4-19-14(18)6-10/h3-8H,1-2,9H2 | Definition date: | 2021-10-27 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal |
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![GI5 GI5](https://data.pdbj.org/pdbjplus/data/cc/svg/GI5.svg) | GI5 | Name: | 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid | Formula: | C24 H24 N2 O6 | SMILES: | CC(=O)n1cc(C(=O)Nc2cc(CO[CH]3CCCCO3)cc(c2)C(O)=O)c4ccccc14 | InChi: | InChI=1S/C24H24N2O6/c1-15(27)26-13-20(19-6-2-3-7-21(19)26)23(28)25-18-11-16(10-17(12-18)24(29)30)14-32-22-8-4-5-9-31-22/h2-3,6-7,10-13,22H,4-5,8-9,14H2,1H3,(H,25,28)(H,29,30)/t22-/m0/s1 | Definition date: | 2022-05-10 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2~{S})-oxan-2-yl]oxymethyl]benzoic acid |
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![0GI 0GI](https://data.pdbj.org/pdbjplus/data/cc/svg/0GI.svg) | 0GI | Name: | 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid | Formula: | C16 H18 N2 O6 | SMILES: | CC(C)Cc1cc2c(CCC(O)=O)c([nH]c2c(c1)[N+]([O-])=O)C(O)=O | InChi: | InChI=1S/C16H18N2O6/c1-8(2)5-9-6-11-10(3-4-13(19)20)15(16(21)22)17-14(11)12(7-9)18(23)24/h6-8,17H,3-5H2,1-2H3,(H,19,20)(H,21,22) | Definition date: | 2021-06-09 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1~{H}-indole-2-carboxylic acid |
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![0H1 0H1](https://data.pdbj.org/pdbjplus/data/cc/svg/0H1.svg) | 0H1 | Name: | 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid | Formula: | C18 H17 N3 O7 S2 | SMILES: | CCc1cc2c(CCC(=O)N[S](=O)(=O)c3sccc3)c([nH]c2c(c1)[N+]([O-])=O)C(O)=O | InChi: | InChI=1S/C18H17N3O7S2/c1-2-10-8-12-11(17(18(23)24)19-16(12)13(9-10)21(25)26)5-6-14(22)20-30(27,28)15-4-3-7-29-15/h3-4,7-9,19H,2,5-6H2,1H3,(H,20,22)(H,23,24) | Definition date: | 2021-06-09 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1~{H}-indole-2-carboxylic acid |
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![0KI 0KI](https://data.pdbj.org/pdbjplus/data/cc/svg/0KI.svg) | 0KI | Name: | 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid | Formula: | C14 H14 Cl N O4 | SMILES: | CCc1cc(Cl)c2[nH]c(C(O)=O)c(CCC(O)=O)c2c1 | InChi: | InChI=1S/C14H14ClNO4/c1-2-7-5-9-8(3-4-11(17)18)13(14(19)20)16-12(9)10(15)6-7/h5-6,16H,2-4H2,1H3,(H,17,18)(H,19,20) | Definition date: | 2021-06-10 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1~{H}-indole-2-carboxylic acid |
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![0O0 0O0](https://data.pdbj.org/pdbjplus/data/cc/svg/0O0.svg) | 0O0 | Name: | 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione | Formula: | C23 H22 N4 O4 | SMILES: | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4C | InChi: | InChI=1S/C23H22N4O4/c1-12-8-6-7-9-16(12)27-22(30)18-13(2)15(10-11-17(18)25(4)23(27)31)20(28)19-14(3)24-26(5)21(19)29/h6-11,29H,1-5H3 | Definition date: | 2021-06-10 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione |
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![HZS HZS](https://data.pdbj.org/pdbjplus/data/cc/svg/HZS.svg) | HZS | Name: | (1R,3S)-5-methyl-2-[(1S)-2-naphthalen-1-yloxy-1-oxidanyl-ethyl]cyclohexane-1,3-diol | Formula: | C19 H24 O4 | SMILES: | C[CH]1C[CH](O)[CH]([CH](O)COc2cccc3ccccc23)[CH](O)C1 | InChi: | InChI=1S/C19H24O4/c1-12-9-15(20)19(16(21)10-12)17(22)11-23-18-8-4-6-13-5-2-3-7-14(13)18/h2-8,12,15-17,19-22H,9-11H2,1H3/t12-,15+,16-,17-,19-/m1/s1 | Definition date: | 2022-03-14 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (1~{R},3~{S})-5-methyl-2-[(1~{S})-2-naphthalen-1-yloxy-1-oxidanyl-ethyl]cyclohexane-1,3-diol |
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![9FI 9FI](https://data.pdbj.org/pdbjplus/data/cc/svg/9FI.svg) | 9FI | Name: | ~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide | Formula: | C33 H41 N5 O2 | SMILES: | NC[CH]1CCC[CH](CNC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)N4CCC5(CC4)C=Cc6ccccc56)C1 | InChi: | InChI=1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23-,24+,30+/m0/s1 | Definition date: | 2022-01-14 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | ~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide |
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![05G 05G](https://data.pdbj.org/pdbjplus/data/cc/svg/05G.svg) | 05G | Name: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid | Formula: | C18 H16 N2 O8 S2 | SMILES: | Cc1cc(/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)O)c(cc1S(O)(=O)=O)OC | InChi: | InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+ | Definition date: | 2021-06-01 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid |
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![H9L H9L](https://data.pdbj.org/pdbjplus/data/cc/svg/H9L.svg) | H9L | Name: | 4-methylsulfanyl-2-oxidanyl-butanoic acid | Formula: | C5 H10 O3 S | SMILES: | CSCC[CH](O)C(O)=O | InChi: | InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) | Definition date: | 2020-12-07 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 4-methylsulfanyl-2-oxidanyl-butanoic acid |
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![AIY AIY](https://data.pdbj.org/pdbjplus/data/cc/svg/AIY.svg) | AIY | Name: | (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one | Formula: | C18 H16 O7 | SMILES: | CC(=O)C1=C(O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C]2(C)C1=O | InChi: | InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1 | Synonyms: | (+)-Usnic acid | Definition date: | 2022-03-17 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (9~{b}~{R})-2,6-diethanoyl-8,9~{b}-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one |
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![FKT FKT](https://data.pdbj.org/pdbjplus/data/cc/svg/FKT.svg) | FKT | Name: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide | Formula: | C35 H33 F3 N8 O3 | SMILES: | CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4C=CC1=Nn34)c(C)c(c2)C(=O)Nc5cc(cc(c5)C(F)(F)F)n6cnc(C)c6 | InChi: | InChI=1S/C35H33F3N8O3/c1-22-20-45(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-34(48)30-18-29-14-24(23(30)2)7-8-27-19-40-31-9-10-32(43-46(27)31)44(3)12-11-39-33(47)6-4-5-13-49-29/h9-10,14-21H,4-6,11-13H2,1-3H3,(H,39,47)(H,42,48) | Definition date: | 2022-04-28 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 |
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![LB3 LB3](https://data.pdbj.org/pdbjplus/data/cc/svg/LB3.svg) | LB3 | Name: | (9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol | Formula: | C18 H18 F2 N6 O3 | SMILES: | Fc1ccc(cc1F)C1CCNc2nc3c(N)ncnc3n2C2OC1C(O)C2O | InChi: | InChI=1S/C18H18F2N6O3/c19-9-2-1-7(5-10(9)20)8-3-4-22-18-25-11-15(21)23-6-24-16(11)26(18)17-13(28)12(27)14(8)29-17/h1-2,5-6,8,12-14,17,27-28H,3-4H2,(H,22,25)(H2,21,23,24)/t8-,12+,13-,14-,17-/m1/s1 | Definition date: | 2022-03-01 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (9R,10R,11S,12R,13R,14R)-4-amino-9-(3,4-difluorophenyl)-6,7,8,9,10,11,12,13-octahydro-10,13-epoxy[1,3]diazecino[1,2-e]purine-11,12-diol |
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![MMX MMX](https://data.pdbj.org/pdbjplus/data/cc/svg/MMX.svg) | MMX | Name: | 3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate) | Formula: | C11 H22 N3 O8 P | SMILES: | O=P(O)(O)OCC1OC(N2CCC(N)N(CC)C2=O)C(O)C1O | InChi: | InChI=1S/C11H22N3O8P/c1-2-13-7(12)3-4-14(11(13)17)10-9(16)8(15)6(22-10)5-21-23(18,19)20/h6-10,15-16H,2-5,12H2,1H3,(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1 | Definition date: | 2022-03-17 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | 3-ethyl-3,4,5,6-tetrahydrocytidine 5'-(dihydrogen phosphate) |
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![MQ6 MQ6](https://data.pdbj.org/pdbjplus/data/cc/svg/MQ6.svg) | MQ6 | Name: | Harringtonine | Formula: | C28 H37 N O9 | SMILES: | O=C(OC)CC(O)(CCC(C)(C)O)C(=O)OC1C2c3cc4OCOc4cc3CCN3CCCC23C=C1OC | InChi: | InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28+/m1/s1 | Synonyms: | (9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine | Definition date: | 2022-03-17 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | (9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine |
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![MU6 MU6](https://data.pdbj.org/pdbjplus/data/cc/svg/MU6.svg) | MU6 | Name: | dimethylpropanedioic acid | Formula: | C5 H8 O4 | SMILES: | O=C(O)C(C)(C)C(=O)O | InChi: | InChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9) | Definition date: | 2022-03-17 | Last modified: | 2022-05-27 | Release date: | 2022-06-01 | Identifier: | dimethylpropanedioic acid |
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![NW3 NW3](https://data.pdbj.org/pdbjplus/data/cc/svg/NW3.svg) | NW3 | Name: | (2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C16 H21 N3 O4 S | SMILES: | O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1 | InChi: | InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1 | Definition date: | 2022-04-11 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | (2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![82U 82U](https://data.pdbj.org/pdbjplus/data/cc/svg/82U.svg) | 82U | Name: | 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid | Formula: | C17 H20 N2 O5 S | SMILES: | O=S(N)(=O)c1cc(cc(NCCCC)c1Oc1ccccc1)C(=O)O | InChi: | InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) | Definition date: | 2021-09-03 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid |
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![OU6 OU6](https://data.pdbj.org/pdbjplus/data/cc/svg/OU6.svg) | OU6 | Name: | N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide | Formula: | C24 H25 N5 O5 S | SMILES: | Cc1cc(c2[NH]c(C#N)cc2c1)S(=O)(=O)N(C)CC(=O)Nc1cc2OCCN(C3COC3)c2cc1 | InChi: | InChI=1S/C24H25N5O5S/c1-15-7-16-9-18(11-25)27-24(16)22(8-15)35(31,32)28(2)12-23(30)26-17-3-4-20-21(10-17)34-6-5-29(20)19-13-33-14-19/h3-4,7-10,19,27H,5-6,12-14H2,1-2H3,(H,26,30) | Definition date: | 2022-05-16 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide |
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![A6F A6F](https://data.pdbj.org/pdbjplus/data/cc/svg/A6F.svg) | A6F | Name: | methyl (2R,3S)-3-[(methanesulfonyl)amino]-2-({[(1s,4S)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate | Formula: | C21 H32 N2 O5 S | SMILES: | COC(=O)N1CCCC(NS(C)(=O)=O)C1COC1CCC(CC1)c1ccccc1 | InChi: | InChI=1S/C21H32N2O5S/c1-27-21(24)23-14-6-9-19(22-29(2,25)26)20(23)15-28-18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,17-20,22H,6,9-15H2,1-2H3/t17-,18+,19-,20-/m0/s1 | Definition date: | 2021-11-08 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | methyl (2R,3S)-3-[(methanesulfonyl)amino]-2-({[(1s,4S)-4-phenylcyclohexyl]oxy}methyl)piperidine-1-carboxylate |
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![E8I E8I](https://data.pdbj.org/pdbjplus/data/cc/svg/E8I.svg) | E8I | Name: | (2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid | Formula: | C23 H22 N6 O4 | SMILES: | O=C(O)C(CCc1ccccc1)NC(=O)Nc1ccc(cc1)Oc1nc(N)nc2[NH]ccc21 | InChi: | InChI=1S/C23H22N6O4/c24-22-28-19-17(12-13-25-19)20(29-22)33-16-9-7-15(8-10-16)26-23(32)27-18(21(30)31)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13,18H,6,11H2,(H,30,31)(H2,26,27,32)(H3,24,25,28,29)/t18-/m0/s1 | Definition date: | 2021-12-03 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | (2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid |
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![8MU 8MU](https://data.pdbj.org/pdbjplus/data/cc/svg/8MU.svg) | 8MU | Name: | 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine | Formula: | C24 H25 N5 O2 | SMILES: | CCc1nc(N)nc(N)c1C#CC(C)c1cc2OCOc2c(c1)c1ccc(CN)cc1 | InChi: | InChI=1S/C24H25N5O2/c1-3-20-18(23(26)29-24(27)28-20)9-4-14(2)17-10-19(22-21(11-17)30-13-31-22)16-7-5-15(12-25)6-8-16/h5-8,10-11,14H,3,12-13,25H2,1-2H3,(H4,26,27,28,29)/t14-/m1/s1 | Definition date: | 2021-09-22 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine |
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![KXC KXC](https://data.pdbj.org/pdbjplus/data/cc/svg/KXC.svg) | KXC | Name: | 6-methylquinoxaline | Formula: | C13 H18 N4 | SMILES: | CN(C)CCNCc1cc2nccnc2cc1 | InChi: | InChI=1S/C13H18N4/c1-17(2)8-7-14-10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9,14H,7-8,10H2,1-2H3 | Definition date: | 2022-02-17 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | N~1~,N~1~-dimethyl-N~2~-[(quinoxalin-6-yl)methyl]ethane-1,2-diamine |
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![LBX LBX](https://data.pdbj.org/pdbjplus/data/cc/svg/LBX.svg) | LBX | Name: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline | Formula: | C8 H11 N O5 | SMILES: | O=C(CCO)C(N=CCC=O)C(=O)O | InChi: | InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1 | Definition date: | 2022-03-01 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline |
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![LD0 LD0](https://data.pdbj.org/pdbjplus/data/cc/svg/LD0.svg) | LD0 | Name: | (2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid | Formula: | C14 H19 N5 O5 S3 | SMILES: | SCC1CSC(NC1C(=O)O)C(C=O)NC(=O)C(=NOC)/c1csc(N)n1 | InChi: | InChI=1S/C14H19N5O5S3/c1-24-19-10(8-5-27-14(15)17-8)11(21)16-7(2-20)12-18-9(13(22)23)6(3-25)4-26-12/h2,5-7,9,12,18,25H,3-4H2,1H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t6-,7-,9+,12-/m1/s1 | Definition date: | 2022-03-01 | Last modified: | 2022-05-20 | Release date: | 2022-05-25 | Identifier: | (2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid |
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