| 4AR | Name: | amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium | Formula: | C16 H25 N4 O3 | SMILES: | O=C(OCC(=O)C(N)CCCNC(=[NH2+])N)c1c(cccc1C)C | InChi: | InChI=1S/C16H24N4O3/c1-10-5-3-6-11(2)14(10)15(22)23-9-13(21)12(17)7-4-8-20-16(18)19/h3,5-6,12H,4,7-9,17H2,1-2H3,(H4,18,19,20)/p+1/t12-/m0/s1 | Definition date: | 2013-01-09 | Last modified: | 2023-11-03 | Identifier: | amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium |
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| 4AW | Name: | 4-AZATRYPTOPHAN | Formula: | C10 H11 N3 O2 | SMILES: | O=C(O)C(N)Cc2c1ncccc1nc2 | InChi: | InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1 | Definition date: | 2012-07-16 | Last modified: | 2023-11-03 | Release date: | 2013-05-29 | Identifier: | 3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine |
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| 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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| 4BF | Name: | 4-BROMO-L-PHENYLALANINE | Formula: | C9 H10 Br N O2 | SMILES: | Brc1ccc(cc1)CC(C(=O)O)N | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | Synonyms: | P-BROMO-L-PHENYLALANINE | Definition date: | 2005-08-22 | Last modified: | 2023-11-03 | Identifier: | 4-bromo-L-phenylalanine |
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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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| 4CY | Name: | nitrilo-L-methionine | Formula: | C5 H8 N2 O2 S | SMILES: | N#CSCCC(C(=O)O)N | InChi: | InChI=1S/C5H8N2O2S/c6-3-10-2-1-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1 | Definition date: | 2010-09-07 | Last modified: | 2023-11-03 | Identifier: | nitrilo-L-methionine |
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| 4D4 | Name: | (2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid | Formula: | C6 H14 N4 O3 | SMILES: | C(O)(=O)C(C(CCN/C(N)=N)O)N | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4+/m1/s1 | Definition date: | 2015-03-02 | Last modified: | 2023-11-03 | Release date: | 2015-03-18 | Identifier: | (2S,3R)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
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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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| 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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| 4FB | Name: | (4S)-4-FLUORO-L-PROLINE | Formula: | C5 H8 F N O2 | SMILES: | O=C(O)C1NCC(F)C1 | InChi: | InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1 | Definition date: | 2007-06-06 | Last modified: | 2023-11-03 | Identifier: | (4S)-4-fluoro-L-proline |
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| 4FO | Name: | (2R)-2,4-diaminobutanoic acid | Formula: | C4 H10 N2 O2 | SMILES: | NC(CCN)C(=O)O | InChi: | InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1 | Definition date: | 2015-08-03 | Last modified: | 2023-11-03 | Release date: | 2016-09-21 | Identifier: | (2R)-2,4-diaminobutanoic acid |
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| 4FU | Name: | (1R,2S)-cyclohexane-1,2-dicarboxylic acid | Formula: | C8 H12 O4 | SMILES: | C(=O)(O)C1C(CCCC1)C(O)=O | InChi: | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+ | Definition date: | 2015-08-04 | Last modified: | 2023-11-03 | Release date: | 2015-10-28 | Identifier: | (1R,2S)-cyclohexane-1,2-dicarboxylic 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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| 4G6 | Name: | 2-methylpropane-1,2-diamine | Formula: | C4 H12 N2 | SMILES: | CC(C)(N)CN | InChi: | InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3 | Definition date: | 2015-08-04 | Last modified: | 2023-11-03 | Release date: | 2015-10-28 | Identifier: | 2-methylpropane-1,2-diamine |
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| 4H0 | Name: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid | Formula: | C11 H9 F4 N O4 | SMILES: | O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N | InChi: | InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1 | Definition date: | 2012-12-13 | Last modified: | 2023-11-03 | Release date: | 2013-03-20 | Identifier: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid |
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| 4HH | Name: | 4'-phosphopanthetheine-serine | Formula: | C14 H28 N3 O9 P S | SMILES: | O=C(O)C(N)COP(O)(=O)OCC(C)(C(C(=O)NCCC(=O)NCCS)O)C | InChi: | InChI=1S/C14H28N3O9PS/c1-14(2,8-26-27(23,24)25-7-9(15)13(21)22)11(19)12(20)17-4-3-10(18)16-5-6-28/h9,11,19,28H,3-8,15H2,1-2H3,(H,16,18)(H,17,20)(H,21,22)(H,23,24)/t9-,11-/m0/s1 | Synonyms: | O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine | Definition date: | 2015-09-08 | Last modified: | 2023-11-03 | Release date: | 2015-09-23 | Identifier: | O-[(S)-hydroxy{[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl]oxy}phosphoryl]-L-serine |
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| 4HL | Name: | (6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate | Formula: | C16 H17 N3 O5 | SMILES: | O=C1C=C([O-])/C(C=C1CC(C(=O)O)N)=[NH+]/NCc2ccc(O)cc2 | InChi: | InChI=1S/C16H17N3O5/c17-12(16(23)24)5-10-6-13(15(22)7-14(10)21)19-18-8-9-1-3-11(20)4-2-9/h1-4,6-7,12,18,20,22H,5,8,17H2,(H,23,24)/b19-13+/t12-/m0/s1 | Definition date: | 2006-11-30 | Last modified: | 2023-11-03 | Identifier: | (6E)-4-[(2S)-2-amino-2-carboxyethyl]-6-[2-(4-hydroxybenzyl)hydraziniumylidene]-3-oxocyclohexa-1,4-dien-1-olate |
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| 4HP | Name: | 4-HYDROXYPHENYLACETATE | Formula: | C8 H8 O3 | SMILES: | O=C(O)Cc1ccc(O)cc1 | InChi: | InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | (4-hydroxyphenyl)acetic acid |
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| 4HT | Name: | 4-HYDROXYTRYPTOPHAN | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1c(cccc1O)nc2 | InChi: | InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1 | Definition date: | 2004-01-20 | Last modified: | 2023-11-03 | Identifier: | 4-hydroxy-L-tryptophan |
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| 4II | Name: | (2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid | Formula: | C9 H10 N4 O2 | SMILES: | N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O | InChi: | InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1 | Definition date: | 2018-08-19 | Last modified: | 2023-11-03 | Release date: | 2018-12-05 | Identifier: | (2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid |
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| 4IN | Name: | 4-AMINO-L-TRYPTOPHAN | Formula: | C11 H13 N3 O2 | SMILES: | O=C(O)C(N)Cc2c1c(cccc1nc2)N | InChi: | InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1 | Synonyms: | 2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID | Definition date: | 2003-04-15 | Last modified: | 2023-11-03 | Identifier: | 4-amino-L-tryptophan |
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| 4J2 | Name: | (2R)-2-amino-3-(naphthalen-2-yl)propanoic acid | Formula: | C13 H13 N O2 | SMILES: | NC(Cc1ccc2ccccc2c1)C(=O)O | InChi: | InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1 | Definition date: | 2015-09-17 | Last modified: | 2023-11-03 | Release date: | 2015-12-16 | Identifier: | (2R)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name) |
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| 4J5 | Name: | amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium | Formula: | C5 H13 N4 O2 | SMILES: | OC(=O)C(N)CCNC(=[N@H2+])N | InChi: | InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1 | Definition date: | 2015-10-08 | Last modified: | 2023-11-03 | Release date: | 2018-12-12 | Identifier: | amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium |
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