 | | XCN | | Name: | S-cyano-L-cysteine | | Formula: | C4 H6 N2 O2 S | | SMILES: | O=C(O)C(N)CSC#N | | InChi: | InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 2010-09-21 | | Last modified: | 2024-09-27 | | Identifier: | S-cyano-L-cysteine |
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 | | SAC | | Name: | N-ACETYL-SERINE | | Formula: | C5 H9 N O4 | | SMILES: | O=C(O)C(NC(=O)C)CO | | InChi: | InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-L-serine |
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 | | ZCL | | Name: | 3,4-dichloro-L-phenylalanine | | Formula: | C9 H9 Cl2 N O2 | | SMILES: | Clc1ccc(cc1Cl)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2010-12-29 | | Last modified: | 2024-09-27 | | Identifier: | 3,4-dichloro-L-phenylalanine |
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 | | XT8 | | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C15 H18 N2 O6 S2 | | SMILES: | C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C | | InChi: | InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1 | | Synonyms: | ticarcillin | | Definition date: | 2019-10-15 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-30 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | V44 | | Name: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine | | Formula: | C13 H19 N5 O2 S | | SMILES: | C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O | | InChi: | InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1 | | Definition date: | 2020-06-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-30 | | Identifier: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine |
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 | | V45 | | Name: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide | | Formula: | C23 H30 Cl N3 O5 | | SMILES: | C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl | | InChi: | InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1 | | Definition date: | 2017-07-14 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-13 | | Identifier: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide |
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 | | V46 | | Name: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C21 H30 Cl N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C21H30ClN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1 | | Definition date: | 2022-01-19 | | Last modified: | 2024-09-27 | | Release date: | 2022-05-04 | | Identifier: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | TIG | | Name: | N-(2-aminoethyl)-L-tryptophan | | Formula: | C13 H17 N3 O2 | | SMILES: | O=C(O)C(NCCN)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C13H17N3O2/c14-5-6-15-12(13(17)18)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,15-16H,5-7,14H2,(H,17,18)/t12-/m0/s1 | | Definition date: | 2010-10-14 | | Last modified: | 2024-09-27 | | Identifier: | N-(2-aminoethyl)-L-tryptophan |
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 | | TIH | | Name: | BETA(2-THIENYL)ALANINE | | Formula: | C7 H9 N O2 S | | SMILES: | O=C(O)C(N)Cc1sccc1 | | InChi: | InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-thiophen-2-yl-L-alanine |
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 | | WFP | | Name: | 3,5-difluoro-L-phenylalanine | | Formula: | C9 H9 F2 N O2 | | SMILES: | N[CH](Cc1cc(F)cc(F)c1)C(O)=O | | InChi: | InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2009-12-13 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid |
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 | | XTJ | | Name: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate | | Formula: | C21 H28 F N3 O5 | | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2cccc(c2)F)=O)CCN3 | | InChi: | InChI=1S/C21H28FN3O5/c22-16-3-1-2-14(8-16)12-30-21(29)25-18(9-13-4-5-13)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h1-3,8,13,15,17-18,26H,4-7,9-12H2,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1 | | Definition date: | 2021-01-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | (3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | | XTM | | Name: | N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Formula: | C21 H30 F N3 O5 | | SMILES: | C2(=O)C(CC(NC(C(CC(C)C)NC(OCc1cccc(F)c1)=O)=O)CO)CCN2 | | InChi: | InChI=1S/C21H30FN3O5/c1-13(2)8-18(25-21(29)30-12-14-4-3-5-16(22)9-14)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h3-5,9,13,15,17-18,26H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2024-09-27 | | Release date: | 2022-12-07 | | Identifier: | N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | | ZV4 | | Name: | (2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid | | Formula: | C9 H12 N O5 P | | SMILES: | N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | | Synonyms: | phosphophenylalanine | | Definition date: | 2023-04-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-19 | | Identifier: | (2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid |
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 | | XTP | | Name: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | Formula: | C21 H29 N3 O5 | | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3 | | InChi: | InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | | SQ3 | | Name: | (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C23 H29 Cl2 N3 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(Cl)cc1Cl | | InChi: | InChI=1S/C23H29Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,12,14-15,19-20,29H,5-7,9-11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-08-28 | | Identifier: | (1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | T43 | | Name: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide | | Formula: | C30 H35 F4 N5 O4 S2 | | SMILES: | FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=S)NC(CC1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C | | InChi: | InChI=1S/C30H35F4N5O4S2/c1-28(2,3)22(38-27(43)30(32,33)34)26(42)39-12-14-18(29(14,4)5)20(39)24(44)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,44)(H,38,43)/t13-,14-,16-,18-,20-,22+/m0/s1 | | Definition date: | 2022-07-18 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-24 | | Identifier: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide |
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 | | TXH | | Name: | ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate | | Formula: | C17 H22 N4 O4 | | SMILES: | CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)NNC=O | | InChi: | InChI=1S/C17H22N4O4/c1-17(2,3)25-16(24)20-14(15(23)21-19-10-22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14,18H,8H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t14-/m0/s1 | | Definition date: | 2023-01-13 | | Last modified: | 2024-09-27 | | Release date: | 2023-01-25 | | Identifier: | ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate |
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 | | T44 | | Name: | 3,5,3',5'-TETRAIODO-L-THYRONINE | | Formula: | C15 H11 I4 N O4 | | SMILES: | O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2 | | InChi: | InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine |
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 | | TIS | | Name: | O-(1,1-dihydroxyethyl)-L-serine | | Formula: | C5 H11 N O5 | | SMILES: | O=C(O)C(N)COC(O)(O)C | | InChi: | InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1 | | Definition date: | 2009-01-28 | | Last modified: | 2024-09-27 | | Identifier: | O-(1,1-dihydroxyethyl)-L-serine |
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 | | ZDJ | | Name: | 3-methyl-L-tyrosine | | Formula: | C10 H13 N O3 | | SMILES: | Cc1cc(CC(N)C(=O)O)ccc1O | | InChi: | InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1 | | Definition date: | 2021-04-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-29 | | Identifier: | 3-methyl-L-tyrosine |
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 | | YB4 | | Name: | ~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide | | Formula: | C35 H42 N8 O2 | | SMILES: | CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6 | | InChi: | InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40) | | Definition date: | 2021-02-15 | | Last modified: | 2024-09-27 | | Release date: | 2022-02-16 | | Identifier: | ~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide |
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 | | VZB | | Name: | (1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C23 H37 N3 O5 | | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COC1CCCCC1 | | InChi: | InChI=1S/C23H37N3O5/c1-23(2)17-11-26(18(28)13-31-16-6-4-3-5-7-16)20(19(17)23)22(30)25-15(12-27)10-14-8-9-24-21(14)29/h14-17,19-20,27H,3-13H2,1-2H3,(H,24,29)(H,25,30)/t14-,15+,17-,19-,20-/m0/s1 | | Synonyms: | MPI64 | | Definition date: | 2023-09-20 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-25 | | Identifier: | (1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | UCJ | | Name: | propan-2-yl hydrogen (S)-methylphosphonate | | Formula: | C4 H11 O3 P | | SMILES: | O=P(OC(C)C)(O)C | | InChi: | InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6) | | Definition date: | 2020-05-07 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | propan-2-yl hydrogen (S)-methylphosphonate |
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 | | UQ4 | | Name: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine | | Formula: | C9 H8 N4 O5 | | SMILES: | C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O | | InChi: | InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15) | | Definition date: | 2020-05-27 | | Last modified: | 2024-09-27 | | Release date: | 2020-06-03 | | Identifier: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine |
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 | | K5H | | Name: | (2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid | | Formula: | C6 H10 F3 N O4 S | | SMILES: | N[CH](CSCC(O)(O)C(F)(F)F)C(O)=O | | InChi: | InChI=1S/C6H10F3NO4S/c7-6(8,9)5(13,14)2-15-1-3(10)4(11)12/h3,13-14H,1-2,10H2,(H,11,12)/t3-/m0/s1 | | Definition date: | 2019-04-26 | | Last modified: | 2024-09-27 | | Release date: | 2019-07-31 | | Identifier: | (2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid |
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