 | | 3BY | | Name: | 1-methyl-L-proline | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCN1C | | InChi: | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 2014-07-23 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-15 | | Identifier: | 1-methyl-L-proline |
|
 | | 3CF | | Name: | 3-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1cccc(C#N)c1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-07 | | Last modified: | 2023-11-03 | | Identifier: | 3-cyano-L-phenylalanine |
|
 | | POK | | Name: | 2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid | | Formula: | C8 H16 N4 O4 | | SMILES: | N[CH](CCCNC(=N)NCC(O)=O)C(O)=O | | InChi: | InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1 | | Definition date: | 2020-04-27 | | Last modified: | 2023-11-03 | | Release date: | 2020-06-03 | | Identifier: | (2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid |
|
 | | 3CT | | Name: | 3-chloro-L-tyrosine | | Formula: | C9 H10 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2013-12-18 | | Last modified: | 2023-11-03 | | Release date: | 2015-08-19 | | Identifier: | 3-chloro-L-tyrosine |
|
 | | PPN | | Name: | PARA-NITROPHENYLALANINE | | Formula: | C9 H10 N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-nitro-L-phenylalanine |
|
 | | PQ4 | | Name: | (2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid | | Formula: | C9 H9 N O3 | | SMILES: | NC(=C/c1ccc(O)cc1)C(O)=O | | InChi: | InChI=1S/C9H9NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,10H2,(H,12,13)/b8-5- | | Definition date: | 2019-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2020-04-22 | | Identifier: | (2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid |
|
 | | PQ6 | | Name: | (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H18 Cl N3 O2 | | SMILES: | Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
|
 | | PQG | | Name: | cis-1-amino-4-phenylcyclohexane-1-carboxylic acid | | Formula: | C13 H17 N O2 | | SMILES: | c1(ccccc1)C2CCC(N)(C(O)=O)CC2 | | InChi: | InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+ | | Definition date: | 2019-08-20 | | Last modified: | 2023-11-03 | | Release date: | 2020-02-05 | | Identifier: | cis-1-amino-4-phenylcyclohexane-1-carboxylic acid |
|
 | | 3FB | | Name: | (3S)-3-AMINO-4-PHENYLBUTANOIC ACID | | Formula: | C10 H13 N O2 | | SMILES: | O=C(O)CC(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 | | Definition date: | 2002-08-05 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3-amino-4-phenylbutanoic acid |
|
 | | 3FG | | Name: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic 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-/m0/s1 | | Definition date: | 2009-03-27 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid |
|
 | | 7XC | | Name: | (2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid | | Formula: | C10 H14 N4 O2 | | SMILES: | N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O | | InChi: | InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1 | | Definition date: | 2017-02-02 | | Last modified: | 2023-11-03 | | Release date: | 2018-07-11 | | Identifier: | (2~{R})-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid |
|
 | | 81R | | Name: | (4R)-4,5-disulfanyl-L-norvaline | | Formula: | C5 H11 N O2 S2 | | SMILES: | O=C(O)C(N)CC(S)CS | | InChi: | InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1 | | Definition date: | 2014-02-19 | | Last modified: | 2023-11-03 | | Release date: | 2014-09-24 | | Identifier: | (4R)-4,5-disulfanyl-L-norvaline |
|
 | | 81S | | Name: | (4S)-4,5-disulfanyl-L-norvaline | | Formula: | C5 H11 N O2 S2 | | SMILES: | O=C(O)C(N)CC(S)CS | | InChi: | InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4-/m0/s1 | | Definition date: | 2014-02-19 | | Last modified: | 2023-11-03 | | Release date: | 2014-09-24 | | Identifier: | (4S)-4,5-disulfanyl-L-norvaline |
|
 | | 823 | | Name: | N,N-bis(3-sulfanylpropyl)-L-asparagine | | Formula: | C10 H20 N2 O3 S2 | | SMILES: | O=C(O)C(N)CC(=O)N(CCCS)CCCS | | InChi: | InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1 | | Definition date: | 2014-02-19 | | Last modified: | 2023-11-03 | | Release date: | 2014-09-24 | | Identifier: | N,N-bis(3-sulfanylpropyl)-L-asparagine |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | 85G | | Name: | N-ethyl-L-glutamine | | Formula: | C7 H14 N2 O3 | | SMILES: | NC(C(O)=O)CCC(NCC)=O | | InChi: | InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 | | Definition date: | 2017-01-05 | | Last modified: | 2023-11-03 | | Release date: | 2017-05-24 | | Identifier: | N-ethyl-L-glutamine |
|
 | | 85J | | Name: | N-propyl-L-glutamine | | Formula: | C8 H16 N2 O3 | | SMILES: | NC(CCC(NCCC)=O)C(O)=O | | InChi: | InChI=1S/C8H16N2O3/c1-2-5-10-7(11)4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1 | | Definition date: | 2017-01-05 | | Last modified: | 2023-11-03 | | Release date: | 2017-05-24 | | Identifier: | N-propyl-L-glutamine |
|
 | | 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 |
|
 | | 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 |
|
 | | 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 |
|
 | | Q60 | | Name: | N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea | | Formula: | C19 H22 N6 O | | SMILES: | Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1 | | InChi: | InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea |
|
 | | Q69 | | Name: | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide | | Formula: | C10 H12 Cl N O2 | | SMILES: | Clc1cc(ccc1)C(NC(C)=O)CO | | InChi: | InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide |
|
 | | Q75 | | Name: | 3-(1,3-Thiazol-5-yl)-L-alanine | | Formula: | C6 H8 N2 O2 S | | SMILES: | N[CH](Cc1scnc1)C(O)=O | | InChi: | InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid | | Definition date: | 2020-05-26 | | Last modified: | 2023-11-03 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid |
|
