 | T6W | Name: | 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide | Formula: | C12 H16 Cl N2 O4 S | SMILES: | CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS | InChi: | InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2-,14,16,17,18,20)/p+1 | Definition date: | 2020-12-15 | Last modified: | 2024-09-27 | Release date: | 2021-07-07 | Identifier: | [3-chloranyl-4-[2-methyl-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]oxy-phenyl]-oxidanyl-oxidanylidene-azanium |
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 | TN6 | Name: | diethylphosphoramidic acid | Formula: | C4 H12 N O3 P | SMILES: | O=P(O)(O)N(CC)CC | InChi: | InChI=1S/C4H12NO3P/c1-3-5(4-2)9(6,7)8/h3-4H2,1-2H3,(H2,6,7,8) | Definition date: | 2009-05-11 | Last modified: | 2024-09-27 | Identifier: | diethylphosphoramidic acid |
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 | QF0 | Name: | (3S)-3-amino-4-(naphthalen-2-yl)butanoic acid | Formula: | C14 H15 N O2 | SMILES: | O=C(O)CC(N)Cc1ccc2ccccc2c1 | InChi: | InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1 | Definition date: | 2022-06-07 | Last modified: | 2024-09-27 | Release date: | 2023-06-14 | Identifier: | (3S)-3-amino-4-(naphthalen-2-yl)butanoic acid |
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 | TN7 | Name: | ethyl hydrogen ethylamidophosphate | Formula: | C4 H12 N O3 P | SMILES: | O=P(O)(OCC)NCC | InChi: | InChI=1S/C4H12NO3P/c1-3-5-9(6,7)8-4-2/h3-4H2,1-2H3,(H2,5,6,7) | Definition date: | 2009-05-12 | Last modified: | 2024-09-27 | Identifier: | ethyl hydrogen ethylamidophosphate |
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 | OBF | Name: | (2S)-2-amino-4,4-difluorobutanoic acid | Formula: | C4 H7 F2 N O2 | SMILES: | FC(F)CC(N)C(=O)O | InChi: | InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1 | Definition date: | 2008-03-14 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-4,4-difluorobutanoic acid |
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 | T6Y | Name: | 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one | Formula: | C11 H15 Cl N2 O S | SMILES: | N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl | InChi: | InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one |
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 | SDJ | Name: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal | Formula: | C25 H35 N5 O2 | SMILES: | O=C(N3C(CNC(C=O)Cc1ncnc1)CC2CCCCC2C3)CCNc4ccccc4 | InChi: | InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23+,24+/m1/s1 | Definition date: | 2015-07-03 | Last modified: | 2024-09-27 | Release date: | 2016-06-22 | Identifier: | (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal |
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 | 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: | 2024-09-27 | 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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 | SDK | Name: | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE | Formula: | C31 H42 N4 O7 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C | InChi: | InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1 | Synonyms: | SYMMETRIC DIACYLAMINOETHYL KETONE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name) |
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 | WVL | Name: | (2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid | Formula: | C8 H15 N O2 | SMILES: | O=C(O)C(N)C(C=C(/C)C)C | InChi: | InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1 | Definition date: | 2013-06-18 | Last modified: | 2024-09-27 | Release date: | 2013-09-18 | Identifier: | (2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid |
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 | N4U | Name: | ~{N}-(2-methylpyrimidin-5-yl)propanamide | Formula: | C8 H11 N3 O | SMILES: | CCC(=O)Nc1cnc(C)nc1 | InChi: | InChI=1S/C8H11N3O/c1-3-8(12)11-7-4-9-6(2)10-5-7/h4-5H,3H2,1-2H3,(H,11,12) | Definition date: | 2022-08-12 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-(2-methylpyrimidin-5-yl)propanamide |
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 | ZGL | Name: | D-alpha-glutamine | Formula: | C5 H10 N2 O3 | SMILES: | O=C(N)C(N)CCC(=O)O | InChi: | InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1 | Synonyms: | Iso-D-glutamine | Definition date: | 2011-10-27 | Last modified: | 2024-09-27 | Identifier: | D-alpha-glutamine |
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 | VM0 | Name: | (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H36 Cl N3 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H36ClN3O8S2/c1-14(2)10-18(28-23(32)36-13-24(3,4)37-17-7-5-6-16(25)12-17)21(30)27-19(22(31)38(33,34)35)11-15-8-9-26-20(15)29/h5-7,12,14-15,18-19,22,31H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1 | Definition date: | 2022-08-30 | Last modified: | 2024-09-27 | Release date: | 2022-09-07 | Identifier: | (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | MAA | Name: | N-methyl-L-alanine | Formula: | C4 H9 N O2 | SMILES: | O=C(O)C(NC)C | InChi: | InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-methyl-L-alanine |
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 | ZGM | Name: | (4S)-4-hydroxy-2-oxoheptanedioic acid | Formula: | C7 H10 O6 | SMILES: | O=C(CC(O)CCC(O)=O)C(=O)O | InChi: | InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1 | Definition date: | 2021-04-20 | Last modified: | 2024-09-27 | Release date: | 2021-07-14 | Identifier: | (4S)-4-hydroxy-2-oxoheptanedioic acid |
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 | OBJ | Name: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide | Formula: | C10 H11 Cl2 N O2 S | SMILES: | C(CNC(=O)COc1cc(c(cc1)Cl)Cl)S | InChi: | InChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14) | Definition date: | 2019-06-20 | Last modified: | 2024-09-27 | Release date: | 2024-01-17 | Identifier: | 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
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 | T71 | Name: | 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one | Formula: | C14 H20 N2 O3 S | SMILES: | N2(CCN(S(c1c(ccc(c1)C)C)(=O)=O)CC2)C(C)=O | InChi: | InChI=1S/C14H20N2O3S/c1-11-4-5-12(2)14(10-11)20(18,19)16-8-6-15(7-9-16)13(3)17/h4-5,10H,6-9H2,1-3H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | PYS | Name: | 2-PYRIDINETHIOL | Formula: | C5 H5 N S | SMILES: | Sc1ncccc1 | InChi: | InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | pyridine-2-thiol |
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 | MOV | Name: | AMG 510 (bound form) | Formula: | C30 H32 F2 N6 O3 | SMILES: | CC1N(CCN(C1)C(=O)CC)C3=NC(=O)N(c2c(nccc2C)C(C)C)c4c3cc(F)c(n4)c5c(F)cccc5O | InChi: | InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h7-11,14,16,18,39H,6,12-13,15H2,1-5H3/t18-/m0/s1 | Synonyms: | 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one | Definition date: | 2019-04-10 | Last modified: | 2024-09-27 | Release date: | 2019-11-06 | Identifier: | 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one |
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 | SDO | Name: | N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide | Formula: | C19 H35 N2 O8 P S | SMILES: | O=C(NCCSCCC(=O)CCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(O)O | InChi: | InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1 | Definition date: | 2014-10-16 | Last modified: | 2024-09-27 | Release date: | 2015-10-21 | Identifier: | N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide |
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 | OR7 | Name: | 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide | Formula: | C12 H16 Cl2 N2 O4 S | SMILES: | C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=O)Cl | InChi: | InChI=1S/C12H16Cl2N2O4S/c1-16(5-6-20-2)21(18,19)11-7-9(3-4-10(11)14)15-12(17)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,15,17) | Definition date: | 2019-07-03 | Last modified: | 2024-09-27 | Release date: | 2019-07-24 | Identifier: | 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide |
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 | ZGQ | Name: | N-[(2-methylphenyl)methyl]acetamide | Formula: | C10 H13 N O | SMILES: | CC(=O)NCc1ccccc1C | InChi: | InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12) | Definition date: | 2023-06-23 | Last modified: | 2024-09-27 | Release date: | 2023-07-12 | Identifier: | N-[(2-methylphenyl)methyl]acetamide |
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 | SDP | Name: | 2-AMINO-3-(DIETHOXY-PHOSPHORYLOXY)-PROPIONIC ACID | Formula: | C7 H16 N O6 P | SMILES: | O=C(O)C(N)COP(=O)(OCC)OCC | InChi: | InChI=1S/C7H16NO6P/c1-3-12-15(11,13-4-2)14-5-6(8)7(9)10/h6H,3-5,8H2,1-2H3,(H,9,10)/t6-/m0/s1 | Definition date: | 2002-10-22 | Last modified: | 2024-09-27 | Identifier: | O-(diethoxyphosphoryl)-L-serine |
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 | 4MM | Name: | N,N,N-trimethylmethionine | Formula: | C8 H18 N O2 S | SMILES: | CSCCC([N+](C)(C)C)C(=O)O | InChi: | InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1 | Synonyms: | (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium | Definition date: | 2011-06-04 | Last modified: | 2024-09-27 | Identifier: | (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium |
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 | MOX | Name: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | Formula: | C18 H18 N2 O9 | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O | InChi: | InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1 | Synonyms: | MOXALACTAM DERIVATIVE (open form) | Definition date: | 2000-08-11 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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