| LEU | Name: | LEUCINE | Formula: | C6 H13 N O2 | SMILES: | O=C(O)C(N)CC(C)C | InChi: | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | L-leucine |
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| 11Q | Name: | 1-(cyclohexylmethyl)-L-proline | Formula: | C12 H21 N O2 | SMILES: | O=C(O)C2N(CC1CCCCC1)CCC2 | InChi: | InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1 | Definition date: | 2012-09-29 | Last modified: | 2023-11-03 | Release date: | 2013-04-03 | Identifier: | 1-(cyclohexylmethyl)-L-proline |
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| 13E | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-methionine | Formula: | C14 H22 N2 O2 S | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)CCSC | InChi: | InChI=1S/C14H22N2O2S/c1-19-8-7-13(14(17)18)16-10-12(15)9-11-5-3-2-4-6-11/h2-6,12-13,16H,7-10,15H2,1H3,(H,17,18)/t12-,13-/m0/s1 | Definition date: | 2012-10-02 | Last modified: | 2023-11-03 | Release date: | 2012-12-07 | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-methionine |
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| KAC | Name: | 4-(benzoylamino)butanoic acid | Formula: | C11 H13 N O3 | SMILES: | O=C(NCCCC(=O)O)c1ccccc1 | InChi: | InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14) | Definition date: | 2014-10-07 | Last modified: | 2023-11-03 | Release date: | 2014-12-03 | Identifier: | 4-(benzoylamino)butanoic acid |
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| KBE | Name: | beta-lysine | Formula: | C6 H14 N2 O2 | SMILES: | NCCC[CH](N)CC(O)=O | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | Synonyms: | (3S)-3,6-diaminohexanoic acid | Definition date: | 2010-02-05 | Last modified: | 2023-11-03 | Identifier: | (3S)-3,6-bis(azanyl)hexanoic acid |
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| 175 | Name: | 3,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-4-ON | Formula: | C8 H16 N4 O3 | SMILES: | O=C1N(CC(=O)O)C(NC1CN)C(N)C | InChi: | InChI=1S/C8H16N4O3/c1-4(10)7-11-5(2-9)8(15)12(7)3-6(13)14/h4-5,7,11H,2-3,9-10H2,1H3,(H,13,14)/t4-,5-,7-/m0/s1 | Definition date: | 2004-05-23 | Last modified: | 2023-11-03 | Identifier: | [(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid |
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| KCJ | Name: | 3-(1,3-thiazol-4-yl)-L-alanine | Formula: | C6 H8 N2 O2 S | SMILES: | c1scnc1CC(C(O)=O)N | InChi: | InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1 | Definition date: | 2018-11-20 | Last modified: | 2023-11-03 | Release date: | 2019-10-02 | Identifier: | 3-(1,3-thiazol-4-yl)-L-alanine |
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| KCQ | Name: | (3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE | Formula: | C8 H14 N2 O2 | SMILES: | O=C1NCCC1CC(N)C(=O)C | InChi: | InChI=1S/C8H14N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7-/m0/s1 | Definition date: | 2007-06-07 | Last modified: | 2023-11-03 | Identifier: | (3S)-3-[(2S)-2-amino-3-oxobutyl]pyrrolidin-2-one |
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| KCR | Name: | N-6-crotonyl-L-lysine | Formula: | C10 H18 N2 O3 | SMILES: | NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C | InChi: | InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1 | Definition date: | 2015-03-26 | Last modified: | 2023-11-03 | Release date: | 2015-09-16 | Identifier: | N~6~-[(2E)-but-2-enoyl]-L-lysine |
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| KCX | Name: | LYSINE NZ-CARBOXYLIC ACID | Formula: | C7 H14 N2 O4 | SMILES: | O=C(O)NCCCCC(C(=O)O)N | InChi: | InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | N~6~-carboxy-L-lysine |
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| KCY | Name: | D-homocysteine | Formula: | C4 H9 N O2 S | SMILES: | C(C(N)CCS)(=O)O | InChi: | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1 | Definition date: | 2015-03-10 | Last modified: | 2023-11-03 | Release date: | 2015-04-15 | Identifier: | D-homocysteine |
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| KEO | Name: | e(R)-beta-lysyl-hydroxylysine | Formula: | C12 H26 N4 O4 | SMILES: | NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O | InChi: | InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1 | Definition date: | 2017-10-05 | Last modified: | 2023-11-03 | Release date: | 2017-11-22 | Identifier: | (2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid |
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| KF2 | Name: | [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid | Formula: | C16 H26 N O3 P | SMILES: | CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O | InChi: | InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1 | Definition date: | 2019-05-16 | Last modified: | 2023-11-03 | Release date: | 2019-12-18 | Identifier: | [(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid |
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| KFB | Name: | 5-Aminovaleric Acid | Formula: | C5 H11 N O2 | SMILES: | NCCCCC(O)=O | InChi: | InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) | Synonyms: | 5-aminopentanoic acid | Definition date: | 2019-05-17 | Last modified: | 2023-11-03 | Release date: | 2019-10-23 | Identifier: | 5-azanylpentanoic acid |
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| KFU | Name: | (3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide | Formula: | C18 H13 Cl N2 O2 | SMILES: | Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1 | Definition date: | 2023-08-11 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide |
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| KG9 | Name: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | Formula: | C24 H21 Cl N4 O3 S | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | InChi: | InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1 | Definition date: | 2023-08-11 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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| KHB | Name: | N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine | Formula: | C10 H20 N2 O4 | SMILES: | NC(C(O)=O)CCCCNC(=O)CC(O)C | InChi: | InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1 | Definition date: | 2018-02-05 | Last modified: | 2023-11-03 | Release date: | 2019-02-06 | Identifier: | N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine |
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| KJI | Name: | N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide | Formula: | C17 H16 N4 O | SMILES: | O=C(Nc1cnccc1C)CNc1ccnc2ccccc21 | InChi: | InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22) | Definition date: | 2023-08-14 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide |
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| KJO | Name: | N-phenyl-2-(pyridin-3-yl)prop-2-enamide | Formula: | C14 H12 N2 O | SMILES: | O=C(Nc1ccccc1)C(=C)c1cccnc1 | InChi: | InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17) | Definition date: | 2023-08-14 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | N-phenyl-2-(pyridin-3-yl)prop-2-enamide |
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| KJW | Name: | (d)3-hydroxy-Leucine | Formula: | C6 H13 N O3 | SMILES: | CC(C)[CH](O)[CH](N)C(O)=O | InChi: | InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1 | Definition date: | 2019-05-28 | Last modified: | 2023-11-03 | Release date: | 2020-07-08 | Identifier: | (2~{R},3~{S})-2-azanyl-4-methyl-3-oxidanyl-pentanoic acid |
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| KL6 | Name: | 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide | Formula: | C12 H19 N3 O4 S2 | SMILES: | NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1 | InChi: | InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19) | Definition date: | 2023-08-14 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide |
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| KLR | Name: | (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide | Formula: | C20 H24 N4 O | SMILES: | CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1 | InChi: | InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1 | Definition date: | 2023-08-14 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide |
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| M93 | Name: | (4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C16 H15 Cl N2 O3 | SMILES: | OCc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21 | InChi: | InChI=1S/C16H15ClN2O3/c17-11-1-2-15-13(7-11)12(4-6-22-15)16(21)19-14-8-18-5-3-10(14)9-20/h1-3,5,7-8,12,20H,4,6,9H2,(H,19,21)/t12-/m1/s1 | Definition date: | 2023-08-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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| M9P | Name: | amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium | Formula: | C7 H16 F3 N4 O | SMILES: | FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N | InChi: | InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1 | Definition date: | 2013-09-18 | Last modified: | 2023-11-03 | Release date: | 2014-07-08 | Identifier: | amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium |
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| M9U | Name: | (4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | Formula: | C15 H15 Cl N4 O2 | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1 | InChi: | InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m0/s1 | Definition date: | 2023-08-15 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | (4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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