 | | 4BA | | Name: | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)c1ccc(cc1)CNCCC(=O)O | | InChi: | InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16) | | Definition date: | 2000-08-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-{[(2-carboxyethyl)amino]methyl}benzoic acid |
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 | | 4CF | | Name: | 4-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(C#N)cc1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)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: | 4-cyano-L-phenylalanine |
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 | | 4CG | | Name: | (1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid | | Formula: | C9 H16 N O6 P | | SMILES: | C1(/C(CCC1)C(=O)O)=C/C(COP(O)(O)=O)N | | InChi: | InChI=1S/C9H16NO6P/c10-7(5-16-17(13,14)15)4-6-2-1-3-8(6)9(11)12/h4,7-8H,1-3,5,10H2,(H,11,12)(H2,13,14,15)/b6-4-/t7-,8-/m1/s1 | | Definition date: | 2015-02-27 | | Last modified: | 2023-11-03 | | Release date: | 2015-09-16 | | Identifier: | (1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid |
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 | | 4DB | | Name: | (2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid | | Formula: | C14 H17 N3 O4 | | SMILES: | O=C(O)C(N)CCN2C(=O)c1ccc(cc1C2=O)N(C)C | | InChi: | InChI=1S/C14H17N3O4/c1-16(2)8-3-4-9-10(7-8)13(19)17(12(9)18)6-5-11(15)14(20)21/h3-4,7,11H,5-6,15H2,1-2H3,(H,20,21)/t11-/m0/s1 | | Definition date: | 2009-09-23 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid |
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 | | 4DP | | Name: | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-ALANINE | | Formula: | C13 H15 N3 O4 | | SMILES: | O=C(O)C(N)CN2C(=O)c1ccc(cc1C2=O)N(C)C | | InChi: | InChI=1S/C13H15N3O4/c1-15(2)7-3-4-8-9(5-7)12(18)16(11(8)17)6-10(14)13(19)20/h3-5,10H,6,14H2,1-2H3,(H,19,20)/t10-/m0/s1 | | Synonyms: | 4-(N,N-DIMETHYLAMINO)PHTHALIMIDOALANYL | | Definition date: | 2006-10-25 | | Last modified: | 2023-11-03 | | Identifier: | 3-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine |
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 | | FF9 | | Name: | (2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid | | Formula: | C10 H18 N2 O4 | | SMILES: | CCC(=NCCCC[CH](N)C(O)=O)C(O)=O | | InChi: | InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1 | | Definition date: | 2020-05-08 | | Last modified: | 2023-11-03 | | Release date: | 2020-08-05 | | Identifier: | (2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid |
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 | | 4F3 | | Name: | [2-(1-AMINO-2-HYDROXY-PROPYL)-4-(4-FLUORO-1H-INDOL-3-YLMETHYL)-5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID | | Formula: | C17 H19 F N4 O4 | | SMILES: | O=C(O)Cn1c(O)c(nc1C(N)C(O)C)Cc3c2c(F)cccc2nc3 | | InChi: | InChI=1S/C17H19FN4O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-4,6,8,15,20,23,26H,5,7,19H2,1H3,(H,24,25)/t8-,15-/m0/s1 | | Definition date: | 2003-12-16 | | Last modified: | 2023-11-03 | | Identifier: | {2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-[(4-fluoro-1H-indol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid |
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 | | 4FW | | Name: | 4-FLUOROTRYPTOPHANE | | Formula: | C11 H11 F N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1c(F)cccc1nc2 | | InChi: | InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 2003-12-16 | | Last modified: | 2023-11-03 | | Identifier: | 4-fluoro-L-tryptophan |
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 | | FHE | | Name: | 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | | Formula: | C22 H20 N4 O7 | | SMILES: | CC(=O)[CH](N)C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C22H20N4O7/c1-13(27)20(23)21-24-17(22(30)25(21)11-19(28)29)10-14-6-8-16(9-7-14)33-12-15-4-2-3-5-18(15)26(31)32/h2-10,20H,11-12,23H2,1H3,(H,28,29)/b17-10-/t20-/m0/s1 | | Definition date: | 2018-07-06 | | Last modified: | 2023-11-03 | | Release date: | 2019-04-24 | | Identifier: | 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | | FHL | | Name: | (E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE | | Formula: | C11 H20 N2 O5 | | SMILES: | O=C(O)C(N)CCCC/N=C(/CO)CCC(=O)O | | InChi: | InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1 | | Synonyms: | 2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID | | Definition date: | 2005-09-11 | | Last modified: | 2023-11-03 | | Identifier: | (E)-N~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-L-lysine |
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 | | FLT | | Name: | FLUOROMALONYL TYROSINE | | Formula: | C12 H12 F N O7 | | SMILES: | FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O | | InChi: | InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1 | | Definition date: | 1999-08-25 | | Last modified: | 2023-11-03 | | Identifier: | {4-[(2S)-2-amino-2-carboxyethyl]phenoxy}(fluoro)propanedioic acid |
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 | | 1JM | | Name: | 4-carboxy-N-methyl-D-phenylalanine | | Formula: | C11 H13 N O4 | | SMILES: | O=C(O)C(NC)Cc1ccc(cc1)C(=O)O | | InChi: | InChI=1S/C11H13NO4/c1-12-9(11(15)16)6-7-2-4-8(5-3-7)10(13)14/h2-5,9,12H,6H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1 | | Definition date: | 2013-02-15 | | Last modified: | 2023-11-03 | | Release date: | 2013-11-06 | | Identifier: | 4-carboxy-N-methyl-D-phenylalanine |
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 | | A30 | | Name: | O-ethyl-L-tyrosine | | Formula: | C11 H15 N O3 | | SMILES: | CCOc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2021-11-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-06-01 | | Identifier: | O-ethyl-L-tyrosine |
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 | | A3U | | Name: | 4-acetamido-L-phenylalanine | | Formula: | C11 H14 N2 O3 | | SMILES: | O=C(C)Nc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1 | | Definition date: | 2021-11-04 | | Last modified: | 2023-11-03 | | Release date: | 2022-06-01 | | Identifier: | 4-acetamido-L-phenylalanine |
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 | | A5R | | Name: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium | | Formula: | C11 H23 N4 O3 | | SMILES: | O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1 | | Definition date: | 2011-01-28 | | Last modified: | 2023-11-03 | | Identifier: | amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium |
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 | | AA1 | | Name: | [1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID | | Formula: | C8 H14 N2 O5 | | SMILES: | O=C(N(N)CC(=O)O)CCC(=O)OCC | | InChi: | InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13) | | Definition date: | 2005-09-14 | | Last modified: | 2023-11-03 | | Identifier: | [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid |
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 | | 1C3 | | Name: | 1-(3,4,5-trimethoxybenzyl)-L-proline | | Formula: | C15 H21 N O5 | | SMILES: | O=C(O)C2N(Cc1cc(OC)c(OC)c(OC)c1)CCC2 | | InChi: | InChI=1S/C15H21NO5/c1-19-12-7-10(8-13(20-2)14(12)21-3)9-16-6-4-5-11(16)15(17)18/h7-8,11H,4-6,9H2,1-3H3,(H,17,18)/t11-/m0/s1 | | Definition date: | 2012-11-30 | | Last modified: | 2023-11-03 | | Release date: | 2013-04-03 | | Identifier: | 1-(3,4,5-trimethoxybenzyl)-L-proline |
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 | | AFC | | Name: | (3R,12R)-3-amino-12-methyltetradecanoic acid | | Formula: | C15 H31 N O2 | | SMILES: | O=C(O)CC(N)CCCCCCCCC(C)CC | | InChi: | InChI=1S/C15H31NO2/c1-3-13(2)10-8-6-4-5-7-9-11-14(16)12-15(17)18/h13-14H,3-12,16H2,1-2H3,(H,17,18)/t13-,14-/m1/s1 | | Definition date: | 2006-09-27 | | Last modified: | 2023-11-03 | | Identifier: | (3R,12R)-3-amino-12-methyltetradecanoic acid |
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 | | AGD | | Name: | 3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine | | Formula: | C8 H10 N6 O3 | | SMILES: | O=C(O)C(N)Cn1c2N=C(NC(=O)c2nc1)N | | InChi: | InChI=1S/C8H10N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h2-3H,1,9H2,(H,16,17)(H3,10,12,13,15)/t3-/m1/s1 | | Definition date: | 2008-02-12 | | Last modified: | 2023-11-03 | | Identifier: | 3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-D-alanine |
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 | | 92B | | Name: | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid | | Formula: | C12 H16 N2 O3 | | SMILES: | OC(=O)[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12 | | InChi: | InChI=1S/C12H16N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-2,7-10,13H,3-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1 | | Definition date: | 2017-04-03 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-14 | | Identifier: | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
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 | | CFY | | Name: | [(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C23 H22 N4 O5 S | | SMILES: | O=C(O)CN1C(=O)C(N=C1C2=NC(O)(SC2)C(N)Cc3ccccc3)=Cc4ccc(O)cc4 | | InChi: | InChI=1S/C23H22N4O5S/c24-19(11-14-4-2-1-3-5-14)23(32)26-18(13-33-23)21-25-17(22(31)27(21)12-20(29)30)10-15-6-8-16(28)9-7-15/h1-10,19,28,32H,11-13,24H2,(H,29,30)/b17-10-/t19-,23+/m0/s1 | | Synonyms: | CHROMOPHORE (PHE-CYS-TYR-GLY) | | Definition date: | 2006-02-14 | | Last modified: | 2023-11-03 | | Identifier: | [(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | CGA | | Name: | CARBOXYMETHYLATED GLUTAMIC ACID | | Formula: | C7 H11 N O6 | | SMILES: | O=C(O)COC(=O)CCC(C(=O)O)N | | InChi: | InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 2-amino-5-(carboxymethoxy)-5-oxopentanoic acid (non-preferred name) |
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 | | CGL | | Name: | CYSTINE-GLUTATHIONE | | Formula: | C13 H22 N4 O8 S2 | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)O)N)CCC(C(=O)O)N | | InChi: | InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25) | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 2-amino-5-({3-[(2-amino-2-carboxyethyl)disulfanyl]-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name) |
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 | | CH6 | | Name: | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C16 H19 N3 O4 S | | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)CCSC)=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1 | | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | | Definition date: | 2004-08-30 | | Last modified: | 2023-11-03 | | Identifier: | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | CH7 | | Name: | [(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C17 H17 N3 O4 | | SMILES: | O=C2C(N=C(C1=NCCCC1)N2CC(=O)O)=Cc3ccc(O)cc3 | | InChi: | InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9- | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2004-08-31 | | Last modified: | 2023-11-03 | | Identifier: | [(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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