 | | UNK | | Name: | UNKNOWN | | Formula: | C4 H9 N O2 | | SMILES: | O=C(O)C(N)CC | | InChi: | InChI=1S/C4H9NO2/c1-2-3(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: | (2S)-2-aminobutanoic acid |
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 | | ZTG | | Name: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine | | Formula: | C18 H30 Cl N O4 Si | | SMILES: | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O | | InChi: | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1 | | Definition date: | 2023-03-30 | | Last modified: | 2023-11-03 | | Release date: | 2023-06-21 | | Identifier: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine |
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 | | J9A | | Name: | N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine | | Formula: | C8 H15 N3 O5 | | SMILES: | O=C(O)CCC(N)C(=O)NCC(C(=O)O)N | | InChi: | InChI=1S/C8H15N3O5/c9-4(1-2-6(12)13)7(14)11-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4-,5-/m0/s1 | | Definition date: | 2018-08-24 | | Last modified: | 2023-11-03 | | Release date: | 2019-08-14 | | Identifier: | N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine |
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 | | ZTK | | Name: | (2S)-2-amino-3-cyanopropanoic acid | | Formula: | C4 H6 N2 O2 | | SMILES: | N#CCC(N)C(=O)O | | InChi: | InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 2023-03-30 | | Last modified: | 2023-11-03 | | Release date: | 2023-06-21 | | Identifier: | (2S)-2-amino-3-cyanopropanoic acid |
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 | | XC0 | | Name: | (2S)-2-aminooctanoic acid | | Formula: | C8 H17 N O2 | | SMILES: | NC(CCCCCC)C(=O)O | | InChi: | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1 | | Definition date: | 2022-11-10 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-01 | | Identifier: | (2S)-2-aminooctanoic acid |
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 | | UAL | | Name: | (2Z)-2-amino-3-(carbamoylamino)prop-2-enoic acid | | Formula: | C4 H7 N3 O3 | | SMILES: | NC(=O)NC=C(N)C(O)=O | | InChi: | InChI=1S/C4H7N3O3/c5-2(3(8)9)1-7-4(6)10/h1H,5H2,(H,8,9)(H3,6,7,10)/b2-1- | | Definition date: | 2010-02-05 | | Last modified: | 2023-11-03 | | Identifier: | (Z)-3-(aminocarbonylamino)-2-azanyl-prop-2-enoic acid |
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 | | ZTT | | Name: | (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one | | Formula: | C26 H28 N2 O4 | | SMILES: | C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12 | | InChi: | InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3 | | Synonyms: | (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | | Definition date: | 2023-07-25 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one |
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 | | 0LF | | Name: | (4R)-4-(4-phenylbutoxy)-L-proline | | Formula: | C15 H21 N O3 | | SMILES: | O=C(O)C2NCC(OCCCCc1ccccc1)C2 | | InChi: | InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1 | | Definition date: | 2012-02-14 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-(4-phenylbutoxy)-L-proline |
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 | | WFP | | Name: | 3,5-difluoro-L-phenylalanine | | Formula: | C9 H9 F2 N O2 | | SMILES: | N[CH](Cc1cc(F)cc(F)c1)C(O)=O | | InChi: | InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2009-12-13 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid |
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 | | ZU0 | | Name: | O-tert-butyl-L-threonine | | Formula: | C8 H17 N O3 | | SMILES: | O=C(O)C(N)C(OC(C)(C)C)C | | InChi: | InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1 | | Definition date: | 2008-12-10 | | Last modified: | 2023-11-03 | | Identifier: | O-tert-butyl-L-threonine |
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 | | YAC | | Name: | (4Z)-6-oxo-6-phenylhex-4-enoic acid | | Formula: | C12 H12 O3 | | SMILES: | O=C(C=C/CCC(=O)O)c1ccccc1 | | InChi: | InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4- | | Definition date: | 2014-10-02 | | Last modified: | 2023-11-03 | | Release date: | 2014-12-03 | | Identifier: | (4Z)-6-oxo-6-phenylhex-4-enoic acid |
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 | | ZBZ | | Name: | S-(phenylcarbonyl)-L-cysteine | | Formula: | C10 H11 N O3 S | | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2010-02-09 | | Last modified: | 2023-11-03 | | Identifier: | S-benzoyl-L-cysteine |
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 | | WG0 | | Name: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid | | Formula: | C19 H17 Cl N4 O2 S | | SMILES: | O=C(O)CC1N=C(c2ccc(Cl)cc2)c2c(C)c(C)sc2n2c(C)nnc21 | | InChi: | InChI=1S/C19H17ClN4O2S/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)21-14(8-15(25)26)18-23-22-11(3)24(18)19/h4-7,14H,8H2,1-3H3,(H,25,26)/t14-/m0/s1 | | Definition date: | 2022-09-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-10-04 | | Identifier: | [(6S,10P)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid |
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 | | ZCL | | Name: | 3,4-dichloro-L-phenylalanine | | Formula: | C9 H9 Cl2 N O2 | | SMILES: | Clc1ccc(cc1Cl)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2010-12-29 | | Last modified: | 2023-11-03 | | Identifier: | 3,4-dichloro-L-phenylalanine |
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 | | UB4 | | Name: | (2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid | | Formula: | C11 H12 N2 O2 S | | SMILES: | C(O)(C(CCc2nc1ccccc1s2)N)=O | | InChi: | InChI=1S/C11H12N2O2S/c12-7(11(14)15)5-6-10-13-8-3-1-2-4-9(8)16-10/h1-4,7H,5-6,12H2,(H,14,15)/t7-/m0/s1 | | Definition date: | 2020-05-06 | | Last modified: | 2023-11-03 | | Release date: | 2020-05-20 | | Identifier: | (2S)-2-amino-4-(1,3-benzothiazol-2-yl)butanoic acid |
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 | | VY0 | | Name: | macrocyclic inhibitor | | Formula: | C17 H19 N7 O | | SMILES: | O=C1NCCCCCNc2nc(Nc3cc1[nH]n3)c4ccccc4n2 | | InChi: | InChI=1S/C17H19N7O/c25-16-13-10-14(24-23-13)21-15-11-6-2-3-7-12(11)20-17(22-15)19-9-5-1-4-8-18-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,25)(H3,19,20,21,22,23,24) | | Definition date: | 2023-09-20 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 |
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 | | ZUK | | Name: | 5-pyrimidin-2-yl-D-norvaline | | Formula: | C9 H13 N3 O2 | | SMILES: | O=C(O)C(N)CCCc1ncccn1 | | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1 | | Definition date: | 2009-07-31 | | Last modified: | 2023-11-03 | | Identifier: | 5-pyrimidin-2-yl-D-norvaline |
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 | | XCN | | Name: | S-cyano-L-cysteine | | Formula: | C4 H6 N2 O2 S | | SMILES: | O=C(O)C(N)CSC#N | | InChi: | InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 2010-09-21 | | Last modified: | 2023-11-03 | | Identifier: | S-cyano-L-cysteine |
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 | | XCP | | Name: | (1S,2S)-2-aminocyclopentanecarboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCC1N | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2008-02-05 | | Last modified: | 2023-11-03 | | Identifier: | (1S,2S)-2-aminocyclopentanecarboxylic acid |
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 | | VYA | | Name: | 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | | Formula: | C17 H21 N3 O4 | | SMILES: | CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2017-08-09 | | Last modified: | 2023-11-03 | | Release date: | 2017-12-06 | | Identifier: | 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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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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 | | ZV4 | | Name: | (2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid | | Formula: | C9 H12 N O5 P | | SMILES: | N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | | Synonyms: | phosphophenylalanine | | Definition date: | 2023-04-06 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-19 | | Identifier: | (2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid |
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 | | V44 | | Name: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine | | Formula: | C13 H19 N5 O2 S | | SMILES: | C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O | | InChi: | InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1 | | Definition date: | 2020-06-23 | | Last modified: | 2023-11-03 | | Release date: | 2021-06-30 | | Identifier: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine |
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 | | VYH | | Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one | | Formula: | C30 H36 Cl N7 O2 | | SMILES: | Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCOCC5)nc4N(CCCCN)C3=O | | InChi: | InChI=1S/C30H36ClN7O2/c1-21-6-4-7-27(35-21)22-8-9-24(26(31)19-22)25-18-23-20-34-30(33-11-5-12-37-14-16-40-17-15-37)36-28(23)38(29(25)39)13-3-2-10-32/h4,6-9,18-20H,2-3,5,10-17,32H2,1H3,(H,33,34,36) | | Definition date: | 2023-09-20 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one |
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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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