 | | KUU | | Name: | (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide | | Formula: | C17 H19 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C | | InChi: | InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide |
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 | | SMC | | Name: | S-METHYLCYSTEINE | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)C(N)CSC | | InChi: | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | S-methyl-L-cysteine |
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 | | OZT | | Name: | (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid | | Formula: | C5 H7 N O4 | | SMILES: | C[CH]1OC(=O)N[CH]1C(O)=O | | InChi: | InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8)/t2-,3+/m1/s1 | | Definition date: | 2009-06-09 | | Last modified: | 2023-11-03 | | Identifier: | (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid |
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 | | QLO | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C22 H20 Cl N3 O3 | | SMILES: | CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | R0K | | Name: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid | | Formula: | C11 H18 N2 O7 | | SMILES: | N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1 | | Definition date: | 2023-03-29 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-05 | | Identifier: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid |
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 | | SME | | Name: | METHIONINE SULFOXIDE | | Formula: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CCS(=O)C | | InChi: | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid |
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 | | OZW | | Name: | phenylhydrazinyl phenylalanine | | Formula: | C15 H17 N3 O2 | | SMILES: | N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O | | InChi: | InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1 | | Definition date: | 2020-04-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-07-22 | | Identifier: | (2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid |
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 | | SMF | | Name: | 4-SULFOMETHYL-L-PHENYLALANINE | | Formula: | C10 H13 N O5 S | | SMILES: | O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1 | | Definition date: | 2003-03-18 | | Last modified: | 2023-11-03 | | Identifier: | 4-(sulfomethyl)-L-phenylalanine |
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 | | KV6 | | Name: | (3R)-3-aminoheptadecanoic acid | | Formula: | C17 H35 N O2 | | SMILES: | NC(CCCCCCCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1 | | Synonyms: | N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl
)-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl
]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide | | Definition date: | 2022-02-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-01 | | Identifier: | (3R)-3-aminoheptadecanoic acid |
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 | | R0Q | | Name: | methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate | | Formula: | C22 H20 Cl N3 O4 | | SMILES: | O=C(OC)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN3O4/c1-29-21(28)25-13-22(8-9-30-19-7-6-15(23)10-17(19)22)20(27)26-18-12-24-11-14-4-2-3-5-16(14)18/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate |
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 | | NB0 | | Name: | 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H18 F N3 O2 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F | | InChi: | InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one |
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 | | KVF | | Name: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide | | Formula: | C15 H16 Cl N3 O | | SMILES: | Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1 | | InChi: | InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide |
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 | | QM3 | | Name: | (1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione | | Formula: | C21 H15 Cl N2 O3 | | SMILES: | Clc1ccc2OCCC3(CC(=O)N(C3=O)c3cncc4ccccc43)c2c1 | | InChi: | InChI=1S/C21H15ClN2O3/c22-14-5-6-18-16(9-14)21(7-8-27-18)10-19(25)24(20(21)26)17-12-23-11-13-3-1-2-4-15(13)17/h1-6,9,11-12H,7-8,10H2/t21-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione |
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 | | NB6 | | Name: | 2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C14 H13 Br N2 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cccc(Br)c1 | | InChi: | InChI=1S/C14H13BrN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide |
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 | | QM8 | | Name: | 6-Sulfanyl-L-norleucine | | Formula: | C6 H13 N O2 S | | SMILES: | N[CH](CCCCS)C(O)=O | | InChi: | InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1 | | Synonyms: | (2S)-2-azanyl-6-sulfanyl-hexanoic acid | | Definition date: | 2020-06-30 | | Last modified: | 2023-11-03 | | Release date: | 2022-01-26 | | Identifier: | (2~{S})-2-azanyl-6-sulfanyl-hexanoic acid |
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 | | QM9 | | Name: | (4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C19 H16 Cl N3 O2 | | SMILES: | Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | KVO | | Name: | 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide | | Formula: | C15 H15 Cl N2 O | | SMILES: | Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19) | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide |
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 | | QMB | | Name: | 5-Mercapto-norvaline | | Formula: | C5 H11 N O2 S | | SMILES: | N[CH](CCCS)C(O)=O | | InChi: | InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1 | | Synonyms: | (2S)-2-azanyl-5-sulfanyl-pentanoic acid | | Definition date: | 2020-06-30 | | Last modified: | 2023-11-03 | | Release date: | 2022-01-26 | | Identifier: | (2~{S})-2-azanyl-5-sulfanyl-pentanoic acid |
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 | | KVX | | Name: | (3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide | | Formula: | C15 H13 Cl N2 O3 | | SMILES: | OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21 | | InChi: | InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide |
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 | | QML | | Name: | (3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide | | Formula: | C21 H17 Cl N2 O3 | | SMILES: | CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(Cl)cc21 | | InChi: | InChI=1S/C21H17ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h3-11,17H,2,12H2,1H3/t17-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide |
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 | | QMM | | Name: | N,N-dimethyl-L-glutamine | | Formula: | C7 H14 N2 O3 | | SMILES: | O=C(N(C)C)CCC(N)C(=O)O | | InChi: | InChI=1S/C7H14N2O3/c1-9(2)6(10)4-3-5(8)7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)/t5-/m0/s1 | | Definition date: | 2010-07-06 | | Last modified: | 2023-11-03 | | Identifier: | N,N-dimethyl-L-glutamine |
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 | | 8BB | | Name: | trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid | | Formula: | C10 H16 N2 O3 S | | SMILES: | O=C(O)C1CCC(C(=O)NC(=CS)N)CC1 | | InChi: | InChI=1S/C10H16N2O3S/c11-8(5-16)12-9(13)6-1-3-7(4-2-6)10(14)15/h5-7,16H,1-4,11H2,(H,12,13)(H,14,15)/b8-5+/t6-,7- | | Definition date: | 2012-01-04 | | Last modified: | 2023-11-03 | | Identifier: | trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid |
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 | | SNC | | Name: | S-NITROSO-CYSTEINE | | Formula: | C3 H6 N2 O3 S | | SMILES: | O=C(O)C(N)CSN=O | | InChi: | InChI=1S/C3H6N2O3S/c4-2(3(6)7)1-9-5-8/h2H,1,4H2,(H,6,7)/t2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | S-nitroso-L-cysteine |
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 | | NBQ | | Name: | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE | | Formula: | C23 H22 N2 O6 | | SMILES: | O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3 | | InChi: | InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1 | | Definition date: | 2004-03-08 | | Last modified: | 2023-11-03 | | Identifier: | 2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine |
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 | | QMX | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C25 H24 Cl N5 O2 | | SMILES: | Cn1ccc(n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C25H24ClN5O2/c1-31-10-8-19(30-31)14-28-16-25(9-11-33-23-7-6-18(26)12-21(23)25)24(32)29-22-15-27-13-17-4-2-3-5-20(17)22/h2-8,10,12-13,15,28H,9,11,14,16H2,1H3,(H,29,32)/t25-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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