 | | OSE | | Name: | O-SULFO-L-SERINE | | Formula: | C3 H7 N O6 S | | SMILES: | O=S(=O)(O)OCC(C(=O)O)N | | InChi: | InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | | Definition date: | 2005-02-24 | | Last modified: | 2023-11-03 | | Identifier: | O-sulfo-L-serine |
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 | | OSL | | Name: | (2R)-2-hydroxy-3-(sulfooxy)propanoic acid | | Formula: | C3 H6 O7 S | | SMILES: | O=S(=O)(OCC(O)C(=O)O)O | | InChi: | InChI=1S/C3H6O7S/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1 | | Definition date: | 2010-11-10 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-2-hydroxy-3-(sulfooxy)propanoic acid |
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 | | OTY | | Name: | 2-hydroxy-L-tyrosine | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)Cc1ccc(O)cc1O | | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7,11-12H,3,10H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2006-11-21 | | Last modified: | 2023-11-03 | | Identifier: | 2-hydroxy-L-tyrosine |
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 | | OUF | | Name: | N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea | | Formula: | C22 H27 N3 O4 | | SMILES: | O=C1c2ccccc2C(=CN1C)NC(=O)N(CCCOC(C)C)Cc1ccco1 | | InChi: | InChI=1S/C22H27N3O4/c1-16(2)28-13-7-11-25(14-17-8-6-12-29-17)22(27)23-20-15-24(3)21(26)19-10-5-4-9-18(19)20/h4-6,8-10,12,15-16H,7,11,13-14H2,1-3H3,(H,23,27) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea |
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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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 | | KPY | | Name: | (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID | | Formula: | C8 H14 N2 O4 S | | SMILES: | O=C(O)C(N)CSCC/N=C(/C(=O)O)C | | InChi: | InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1 | | Synonyms: | PYRUVOYL-L-THIALYSINE | | Definition date: | 2012-02-03 | | Last modified: | 2023-11-03 | | Release date: | 2013-01-18 | | Identifier: | S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine |
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 | | N6F | | Name: | (2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide | | Formula: | C16 H16 Cl N3 O2 | | SMILES: | O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1 | | InChi: | InChI=1S/C16H16ClN3O2/c1-10(12-4-3-5-13(17)8-12)16(22)20-15-9-18-7-6-14(15)19-11(2)21/h3-10H,1-2H3,(H,20,22)(H,18,19,21)/t10-/m0/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide |
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 | | SIC | | Name: | (2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid | | Formula: | C7 H10 N2 O4 S | | SMILES: | O=C1N(C(=O)CC1N)C(C(=O)O)CS | | InChi: | InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1 | | Definition date: | 2008-06-24 | | Last modified: | 2023-11-03 | | Identifier: | (2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid |
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 | | QI4 | | Name: | (2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide | | Formula: | C18 H14 Cl2 N2 O | | SMILES: | Clc1ccc(cc1Cl)C(C)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H14Cl2N2O/c1-11(12-6-7-15(19)16(20)8-12)18(23)22-17-10-21-9-13-4-2-3-5-14(13)17/h2-11H,1H3,(H,22,23)/t11-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide |
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 | | N7L | | Name: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide | | Formula: | C11 H13 F N2 O | | SMILES: | O=C(Nc1cnccc1C)C1CC1CF | | InChi: | InChI=1S/C11H13FN2O/c1-7-2-3-13-6-10(7)14-11(15)9-4-8(9)5-12/h2-3,6,8-9H,4-5H2,1H3,(H,14,15)/t8-,9+/m0/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
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 | | KS0 | | Name: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one | | Formula: | C14 H19 F N2 O | | SMILES: | CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1 | | InChi: | InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one |
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 | | 0OB | | Name: | 3-(1-benzothiophen-2-yl)propanoic acid | | Formula: | C11 H10 O2 S | | SMILES: | O=C(O)CCc2sc1ccccc1c2 | | InChi: | InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13) | | Definition date: | 2012-03-30 | | Last modified: | 2023-11-03 | | Release date: | 2012-10-05 | | Identifier: | 3-(1-benzothiophen-2-yl)propanoic acid |
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 | | QXR | | Name: | N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide | | Formula: | C17 H19 Cl N2 O2 | | SMILES: | O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1 | | InChi: | InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21) | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide |
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 | | QYR | | Name: | (4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H20 Cl N3 O3 S | | SMILES: | O=S(=O)(C1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN3O3S/c23-16-6-5-15-12-26(30(28,29)17-7-8-17)13-20(19(15)9-16)22(27)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20H,7-8,12-13H2,(H,25,27)/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RE0 | | Name: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1 | | Definition date: | 2011-02-03 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | | QYX | | Name: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid | | Formula: | C16 H18 N3 O4 S | | SMILES: | CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C16H17N3O4S/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/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12- | | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | | Definition date: | 2022-11-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-02-15 | | Identifier: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid |
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 | | RRU | | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C26 H23 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C26H23ClN4O3S/c27-20-6-5-19-14-30(35(33,34)17-25(15-28)7-8-25)16-26(22(19)11-20)9-10-31(24(26)32)23-13-29-12-18-3-1-2-4-21(18)23/h1-6,11-13H,7-10,14,16-17H2/t26-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | RE3 | | Name: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11-/m0/s1 | | Definition date: | 2011-02-03 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | | OYL | | Name: | 1-ethyl-L-histidine | | Formula: | C8 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)CC | | InChi: | InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1 | | Definition date: | 2014-02-28 | | Last modified: | 2023-11-03 | | Release date: | 2014-06-25 | | Identifier: | 1-ethyl-L-histidine |
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 | | RS6 | | Name: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl F N4 O3 | | SMILES: | Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC(C)C)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C24H22ClFN4O3/c1-13(2)28-22(31)12-30-11-20(19-8-15(25)3-5-18(19)24(30)33)23(32)29-21-10-27-9-14-7-16(26)4-6-17(14)21/h3-10,13,20H,11-12H2,1-2H3,(H,28,31)(H,29,32)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | N9K | | Name: | (2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid | | Formula: | C10 H13 N O3 | | SMILES: | CN[CH](Cc1ccc(O)cc1)C(O)=O | | InChi: | InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1 | | Definition date: | 2019-11-19 | | Last modified: | 2023-11-03 | | Release date: | 2020-03-04 | | Identifier: | (2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid |
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 | | N9P | | Name: | 3-pyridin-4-yl-L-alanine | | Formula: | C8 H10 N2 O2 | | SMILES: | NC(C(=O)O)Cc1ccncc1 | | InChi: | InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1 | | Definition date: | 2019-05-09 | | Last modified: | 2023-11-03 | | Release date: | 2020-04-29 | | Identifier: | 3-pyridin-4-yl-L-alanine |
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 | | 0QZ | | Name: | D-Isoserine | | Formula: | C3 H7 N O3 | | SMILES: | O=C(O)C(O)CN | | InChi: | InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1 | | Synonyms: | (2R)-3-amino-2-hydroxypropanoic acid | | Definition date: | 2012-08-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-05-07 | | Identifier: | (2R)-3-amino-2-hydroxypropanoic acid |
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 | | SLL | | Name: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCC(=O)O | | InChi: | InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | 6-N-succinyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2023-11-03 | | Identifier: | N~6~-(3-carboxypropanoyl)-L-lysine |
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 | | REU | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H23 Cl N4 O2 | | SMILES: | CNC(=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H23ClN4O2/c1-14(22(29)25-2)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)27-21-11-26-10-15-5-3-4-6-18(15)21/h3-11,14,20H,12-13H2,1-2H3,(H,25,29)(H,27,30)/t14-,20+/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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