| 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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| 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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| 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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| 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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| 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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| ZDJ | Name: | 3-methyl-L-tyrosine | Formula: | C10 H13 N O3 | SMILES: | Cc1cc(CC(N)C(=O)O)ccc1O | InChi: | InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2021-04-15 | Last modified: | 2023-11-03 | Release date: | 2021-12-29 | Identifier: | 3-methyl-L-tyrosine |
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| VYN | Name: | 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one | Formula: | C26 H29 Cl N6 O3 | SMILES: | Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O | InChi: | InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32) | Definition date: | 2023-09-20 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one |
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| 0MG | Name: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium | Formula: | C7 H15 N4 O3 | SMILES: | O=C(C(=O)O)C(N)CCCNC(=[NH2+])N | InChi: | InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1 | Definition date: | 2010-09-24 | Last modified: | 2023-11-03 | Identifier: | amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium |
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| XDD | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine | Formula: | C14 H19 N7 O3 | SMILES: | C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N | InChi: | InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1 | Definition date: | 2020-12-11 | Last modified: | 2023-11-03 | Release date: | 2020-12-23 | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine |
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| V4F | Name: | 8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid | Formula: | C12 H13 N2 O6 P | SMILES: | NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O | InChi: | InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19) | Definition date: | 2023-02-21 | Last modified: | 2023-11-03 | Release date: | 2023-07-19 | Identifier: | 8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
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| XDJ | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine | Formula: | C14 H19 N7 O4 | SMILES: | C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O | InChi: | InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1 | Definition date: | 2020-12-11 | Last modified: | 2023-11-03 | Release date: | 2020-12-23 | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine |
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| VZ2 | Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one | Formula: | C30 H34 Cl N7 O2 | SMILES: | Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCCC5=O)nc4N(CCCCN)C3=O | InChi: | InChI=1S/C30H34ClN7O2/c1-20-7-4-8-26(35-20)21-10-11-23(25(31)18-21)24-17-22-19-34-30(33-13-6-15-37-14-5-9-27(37)39)36-28(22)38(29(24)40)16-3-2-12-32/h4,7-8,10-11,17-19H,2-3,5-6,9,12-16,32H2,1H3,(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-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one |
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| XDY | Name: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | Formula: | C14 H20 N4 O5 | SMILES: | C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O | InChi: | InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1 | Definition date: | 2020-12-11 | Last modified: | 2023-11-03 | Release date: | 2020-12-23 | Identifier: | N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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| V53 | Name: | 8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid | Formula: | C11 H11 N2 O6 P | SMILES: | Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O | InChi: | InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18) | Definition date: | 2023-02-21 | Last modified: | 2023-11-03 | Release date: | 2023-07-19 | Identifier: | 8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid |
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| XW1 | Name: | (2S)-2-amino-7-ethoxy-7-oxoheptanoic acid | Formula: | C9 H17 N O4 | SMILES: | O=C(OCC)CCCCC(C(=O)O)N | InChi: | InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1 | Definition date: | 2011-06-14 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-amino-7-ethoxy-7-oxoheptanoic acid |
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| UQ4 | Name: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine | Formula: | C9 H8 N4 O5 | SMILES: | C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O | InChi: | InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15) | Definition date: | 2020-05-27 | Last modified: | 2023-11-03 | Release date: | 2020-06-03 | Identifier: | N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine |
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| TXY | Name: | 3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine | Formula: | C9 H13 N O4 | SMILES: | O=C(O)C(N)CC1=CC=C(O)C(O)C1 | InChi: | InChI=1S/C9H13NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,6,8,11-12H,3-4,10H2,(H,13,14)/t6-,8-/m0/s1 | Definition date: | 2013-05-27 | Last modified: | 2023-11-03 | Release date: | 2014-06-25 | Identifier: | 3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine |
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| TY1 | Name: | O-tert-butyl-L-tyrosine | Formula: | C13 H19 N O3 | SMILES: | O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1 | InChi: | InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1 | Definition date: | 2010-10-06 | Last modified: | 2023-11-03 | Identifier: | O-tert-butyl-L-tyrosine |
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| JBY | Name: | (2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid | Formula: | C14 H15 N3 O4 | SMILES: | C1(=NC(C(=O)N1C(C(=O)O)C)=C/c2ccc(O)cc2)CN | InChi: | InChI=1S/C14H15N3O4/c1-8(14(20)21)17-12(7-15)16-11(13(17)19)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,20,21)/b11-6-/t8-/m0/s1 | Synonyms: | Gly-Ala-Try Chromophore | Definition date: | 2018-08-29 | Last modified: | 2023-11-03 | Release date: | 2019-03-13 | Identifier: | (2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid |
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