 | | S7C | | Name: | 1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C28 H27 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21 | | InChi: | InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | D0C | | Name: | 4-chloro-D-phenylalanine | | Formula: | C9 H10 Cl N O2 | | SMILES: | NC(Cc1ccc(cc1)Cl)C(=O)O | | InChi: | InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1 | | Definition date: | 2020-10-29 | | Last modified: | 2023-11-03 | | Release date: | 2021-11-17 | | Identifier: | 4-chloro-D-phenylalanine |
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 | | D0Q | | Name: | 5-methyl-L-tryptophan | | Formula: | C12 H14 N2 O2 | | SMILES: | Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1 | | InChi: | InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1 | | Definition date: | 2017-12-15 | | Last modified: | 2023-11-03 | | Release date: | 2019-01-30 | | Identifier: | (2~{S})-2-azanyl-3-(5-methyl-1~{H}-indol-3-yl)propanoic acid |
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 | | S7U | | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C27 H25 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | S9X | | Name: | 2-azanyl-2-butyl-hexanal | | Formula: | C10 H21 N O2 | | SMILES: | CCCCC(N)(CCCC)C(O)=O | | InChi: | InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13) | | Definition date: | 2022-12-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-10-11 | | Identifier: | 2-azanyl-2-butyl-hexanoic acid |
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 | | D2T | | Name: | (3R)-3-(methylsulfanyl)-L-aspartic acid | | Formula: | C5 H9 N O4 S | | SMILES: | NC(C(=O)O)C(SC)C(=O)O | | InChi: | InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1 | | Definition date: | 2015-03-02 | | Last modified: | 2023-11-03 | | Release date: | 2015-03-18 | | Identifier: | (3R)-3-(methylsulfanyl)-L-aspartic acid |
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 | | D3P | | Name: | (2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H9 N O4 | | SMILES: | O=C(O)C(c1cc(O)cc(O)c1)N | | InChi: | InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m1/s1 | | Definition date: | 2004-09-08 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-amino(3,5-dihydroxyphenyl)ethanoic acid |
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 | | D4P | | Name: | (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H9 N O3 | | SMILES: | O=C(O)C(N)c1ccc(O)cc1 | | InChi: | InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1 | | Definition date: | 2004-09-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-amino(4-hydroxyphenyl)ethanoic acid |
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 | | SD4 | | Name: | N-hydroxy-L-asparagine | | Formula: | C4 H8 N2 O4 | | SMILES: | N[CH](CC(=O)NO)C(O)=O | | InChi: | InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | | Definition date: | 2012-03-01 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoic acid |
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 | | SEM | | Name: | O-benzyl-L-serine | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)C(N)COCc1ccccc1 | | InChi: | InChI=1S/C10H13NO3/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-phenylmethoxy-propanoic acid | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | O-benzyl-L-serine |
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 | | D8R | | Name: | (2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid | | Formula: | C9 H18 N2 O4 | | SMILES: | C[CH](O)C(=O)NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1 | | Definition date: | 2022-04-11 | | Last modified: | 2023-11-03 | | Release date: | 2023-05-10 | | Identifier: | (2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid |
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 | | NJE | | Name: | N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide | | Formula: | C13 H19 N3 O | | SMILES: | O=C(CN1CCCCC1)Nc1cnccc1C | | InChi: | InChI=1S/C13H19N3O/c1-11-5-6-14-9-12(11)15-13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,17) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide |
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 | | NJU | | Name: | 2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide | | Formula: | C17 H17 Cl N2 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2CCCCc21 | | InChi: | InChI=1S/C17H17ClN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h3-4,6,8,10-11H,1-2,5,7,9H2,(H,20,21) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide |
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 | | DAH | | Name: | 3,4-DIHYDROXYPHENYLALANINE | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(O)cc1 | | InChi: | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 | | Synonyms: | L-DOPA | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3-hydroxy-L-tyrosine |
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 | | NKU | | Name: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide | | Formula: | C16 H15 Cl N4 O | | SMILES: | Clc1cccc(c1)CN(C)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C16H15ClN4O/c1-20(10-12-5-4-6-13(17)9-12)16(22)11-21-15-8-3-2-7-14(15)18-19-21/h2-9H,10-11H2,1H3 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide |
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 | | DAV | | Name: | DELTA-AMINO VALERIC ACID | | Formula: | C5 H12 N O2 | | SMILES: | O=C(O)CCCC[NH3+] | | InChi: | InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)/p+1 | | Definition date: | 1999-09-15 | | Last modified: | 2023-11-03 | | Identifier: | 4-carboxybutan-1-aminium |
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 | | NLB | | Name: | 6-(benzyloxy)-L-norleucine | | Formula: | C13 H19 N O3 | | SMILES: | O=C(O)C(N)CCCCOCc1ccccc1 | | InChi: | InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1 | | Definition date: | 2014-11-09 | | Last modified: | 2023-11-03 | | Release date: | 2015-02-11 | | Identifier: | 6-(benzyloxy)-L-norleucine |
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 | | NLF | | Name: | N-formyl-L-tryptophan | | Formula: | C12 H12 N2 O3 | | SMILES: | O=C(O)C(NC=O)Cc1c[NH]c2ccccc21 | | InChi: | InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1 | | Definition date: | 2022-04-05 | | Last modified: | 2023-11-03 | | Release date: | 2022-08-17 | | Identifier: | N-formyl-L-tryptophan |
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 | | DBH | | Name: | 2,3-DIHYDROXY-BENZOIC ACID | | Formula: | C7 H6 O4 | | SMILES: | O=C(O)c1cccc(O)c1O | | InChi: | InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11) | | Definition date: | 2002-03-20 | | Last modified: | 2023-11-03 | | Identifier: | 2,3-dihydroxybenzoic acid |
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 | | NLY | | Name: | N-(4-aminobutyl)glycine | | Formula: | C6 H14 N2 O2 | | SMILES: | O=C(O)CNCCCCN | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10) | | Definition date: | 2012-10-18 | | Last modified: | 2023-11-03 | | Release date: | 2013-10-09 | | Identifier: | N-(4-aminobutyl)glycine |
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 | | NM0 | | Name: | 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide | | Formula: | C15 H12 Cl N3 O | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cnc2ccccn12 | | InChi: | InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-14-10-17-13-6-1-2-7-19(13)14/h1-8,10H,9H2,(H,18,20) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide |
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 | | DBY | | Name: | 3,5 DIBROMOTYROSINE | | Formula: | C9 H9 Br2 N O3 | | SMILES: | Brc1cc(cc(Br)c1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 3,5-dibromo-L-tyrosine |
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 | | DBZ | | Name: | 3-(BENZOYLAMINO)-L-ALANINE | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(NCC(C(=O)O)N)c1ccccc1 | | InChi: | InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 2004-03-14 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(phenylcarbonyl)amino]-L-alanine |
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 | | DC0 | | Name: | N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine | | Formula: | C15 H24 N2 O2 | | SMILES: | O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1 | | InChi: | InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1 | | Definition date: | 2010-10-09 | | Last modified: | 2023-11-03 | | Identifier: | N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine |
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 | | NMI | | Name: | 3-(1-methyl-1H-indol-3-yl)propanoic acid | | Formula: | C12 H13 N O2 | | SMILES: | O=C(O)CCc2c1ccccc1n(c2)C | | InChi: | InChI=1S/C12H13NO2/c1-13-8-9(6-7-12(14)15)10-4-2-3-5-11(10)13/h2-5,8H,6-7H2,1H3,(H,14,15) | | Definition date: | 2014-04-07 | | Last modified: | 2023-11-03 | | Release date: | 2014-06-18 | | Identifier: | 3-(1-methyl-1H-indol-3-yl)propanoic acid |
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