 | | 4AF | | Name: | 4-ACETYL-L-PHENYLALANINE | | Formula: | C11 H13 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=O)C | | InChi: | InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | P-ACETYLPHENYLALANINE | | Definition date: | 2005-05-04 | | Last modified: | 2023-11-03 | | Identifier: | 4-acetyl-L-phenylalanine |
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 | | 4AK | | Name: | N~6~-sulfo-L-lysine | | Formula: | C6 H14 N2 O5 S | | SMILES: | O=S(=O)(O)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1 | | Definition date: | 2015-02-20 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-15 | | Identifier: | N~6~-sulfo-L-lysine |
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 | | 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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 | | 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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 | | 6FL | | Name: | 5,5,5,5',5',5'-hexafluoro-L-leucine | | Formula: | C6 H7 F6 N O2 | | SMILES: | FC(F)(F)C(CC(N)C(=O)O)C(F)(F)F | | InChi: | InChI=1S/C6H7F6NO2/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15/h2-3H,1,13H2,(H,14,15)/t2-/m0/s1 | | Definition date: | 2011-10-13 | | Last modified: | 2023-11-03 | | Identifier: | 5,5,5,5',5',5'-hexafluoro-L-leucine |
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 | | 6J9 | | Name: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | | Formula: | C10 H13 N5 | | SMILES: | c2(c1c(ncc1)ncn2)N3CCNCC3 | | InChi: | InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14) | | Definition date: | 2016-04-14 | | Last modified: | 2023-11-03 | | Release date: | 2016-07-20 | | Identifier: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
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 | | 99Y | | Name: | 4-carboxy-D-phenylalanine | | Formula: | C10 H11 N O4 | | SMILES: | C(N)(Cc1ccc(C(=O)O)cc1)C(=O)O | | InChi: | InChI=1S/C10H11NO4/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/t8-/m1/s1 | | Definition date: | 2017-04-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-11-15 | | Identifier: | 4-carboxy-D-phenylalanine |
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 | | 9BB | | Name: | trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid | | Formula: | C10 H16 N2 O4 S | | SMILES: | O=C(OC1CCC(C(=O)O)CC1)NC(=CS)N | | InChi: | InChI=1S/C10H16N2O4S/c11-8(5-17)12-10(15)16-7-3-1-6(2-4-7)9(13)14/h5-7,17H,1-4,11H2,(H,12,15)(H,13,14)/b8-5+/t6-,7- | | Definition date: | 2012-01-04 | | Last modified: | 2023-11-03 | | Identifier: | trans-4-({[(E)-1-amino-2-sulfanylethenyl]carbamoyl}oxy)cyclohexanecarboxylic acid |
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 | | 9DK | | Name: | 3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid | | Formula: | C10 H15 N3 O3 | | SMILES: | CC(C)(C(O)=O)C(=O)NCCc1c[nH]cn1 | | InChi: | InChI=1S/C10H15N3O3/c1-10(2,9(15)16)8(14)12-4-3-7-5-11-6-13-7/h5-6H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16) | | Definition date: | 2017-05-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-14 | | Identifier: | 3-[2-(1~{H}-imidazol-4-yl)ethylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid |
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 | | 9DT | | Name: | (2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid | | Formula: | C10 H12 F N O2 | | SMILES: | C[C](N)(Cc1ccccc1F)C(O)=O | | InChi: | InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2017-05-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-14 | | Identifier: | (2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid |
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 | | 9DW | | Name: | (2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid | | Formula: | C18 H21 N O3 | | SMILES: | CCc1cc(OC)ccc1c2ccc(C[CH](N)C(O)=O)cc2 | | InChi: | InChI=1S/C18H21NO3/c1-3-13-11-15(22-2)8-9-16(13)14-6-4-12(5-7-14)10-17(19)18(20)21/h4-9,11,17H,3,10,19H2,1-2H3,(H,20,21)/t17-/m0/s1 | | Definition date: | 2017-05-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-14 | | Identifier: | (2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid |
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 | | 9EV | | Name: | 6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine | | Formula: | C16 H24 N3 O9 P | | SMILES: | C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N | | InChi: | InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1 | | Definition date: | 2017-05-03 | | Last modified: | 2023-11-03 | | Release date: | 2017-05-17 | | Identifier: | 6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine |
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 | | 9FZ | | Name: | (2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid | | Formula: | C8 H14 N4 O2 | | SMILES: | Cc1cn(CCC[CH](N)C(O)=O)nn1 | | InChi: | InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1 | | Definition date: | 2017-05-17 | | Last modified: | 2023-11-03 | | Release date: | 2017-08-30 | | Identifier: | (2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid |
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 | | 9G2 | | Name: | (2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid | | Formula: | C9 H16 N4 O2 | | SMILES: | CCc1cn(CCC[CH](N)C(O)=O)nn1 | | InChi: | InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1 | | Definition date: | 2017-05-17 | | Last modified: | 2023-11-03 | | Release date: | 2017-08-30 | | Identifier: | (2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid |
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 | | 9IJ | | Name: | 2-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | NC(Cc1ccccc1C#N)C(=O)O | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2021-10-18 | | Last modified: | 2023-11-03 | | Release date: | 2022-05-11 | | Identifier: | 2-cyano-L-phenylalanine |
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 | | 9JV | | Name: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid | | Formula: | C11 H10 N2 O3 | | SMILES: | COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | | Definition date: | 2021-11-15 | | Last modified: | 2023-11-03 | | Release date: | 2023-09-27 | | Identifier: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid |
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 | | 9KP | | Name: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine | | Formula: | C17 H20 N2 O6 | | SMILES: | C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1 | | InChi: | InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1 | | Definition date: | 2017-05-18 | | Last modified: | 2023-11-03 | | Release date: | 2019-04-10 | | Identifier: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine |
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 | | EE3 | | Name: | (2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid | | Formula: | C10 H15 N3 O4 | | SMILES: | N[CH](CCCCNC(=O)c1ocnc1)C(O)=O | | InChi: | InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1 | | Definition date: | 2019-12-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-10-28 | | Identifier: | (2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid |
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 | | ELY | | Name: | N~6~,N~6~-diethyl-L-lysine | | Formula: | C10 H22 N2 O2 | | SMILES: | C(=O)(C(N)CCCCN(CC)CC)O | | InChi: | InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1 | | Synonyms: | (2S)-2-azanyl-6-(diethylamino)hexanoic acid | | Definition date: | 2011-03-25 | | Last modified: | 2023-11-03 | | Identifier: | N~6~,N~6~-diethyl-L-lysine |
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 | | 51T | | Name: | 2,3,6-trifluoro-L-tyrosine | | Formula: | C9 H8 F3 N O3 | | SMILES: | NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O | | InChi: | InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1 | | Definition date: | 2015-07-13 | | Last modified: | 2023-11-03 | | Release date: | 2016-06-22 | | Identifier: | 2,3,6-trifluoro-L-tyrosine |
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 | | 54C | | Name: | (betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan | | Formula: | C16 H20 N2 O4 | | SMILES: | C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O | | InChi: | InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1 | | Definition date: | 2015-07-23 | | Last modified: | 2023-11-03 | | Release date: | 2015-10-28 | | Identifier: | (betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan |
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 | | 55I | | Name: | 4-(trifluoromethyl)-L-phenylalanine | | Formula: | C10 H10 F3 N O2 | | SMILES: | FC(F)(F)c1ccc(CC(N)C(=O)O)cc1 | | InChi: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 2021-07-16 | | Last modified: | 2023-11-03 | | Release date: | 2021-09-29 | | Identifier: | 4-(trifluoromethyl)-L-phenylalanine |
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