 | | 2OR | | Name: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium | | Formula: | C6 H15 N4 O4 | | SMILES: | O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N | | InChi: | InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1 | | Definition date: | 2013-08-28 | | Last modified: | 2023-11-03 | | Release date: | 2014-06-25 | | Identifier: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium |
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 | | OMX | | Name: | (betaR)-beta-hydroxy-L-Tyrosine | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1 | | Definition date: | 2010-08-10 | | Last modified: | 2023-11-03 | | Identifier: | (betaR)-beta-hydroxy-L-tyrosine |
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 | | OMY | | Name: | (betaR)-3-chloro-beta-hydroxy-L-tyrosine | | Formula: | C9 H10 Cl N O4 | | SMILES: | Clc1cc(ccc1O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1 | | Definition date: | 2009-03-27 | | Last modified: | 2023-11-03 | | Identifier: | (betaR)-3-chloro-beta-hydroxy-L-tyrosine |
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 | | OMZ | | Name: | (betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE | | Formula: | C9 H10 Cl N O4 | | SMILES: | Clc1cc(ccc1O)C(O)C(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1 | | Definition date: | 2010-08-06 | | Last modified: | 2023-11-03 | | Identifier: | (betaR)-3-chloro-beta-hydroxy-D-tyrosine |
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 | | ONU | | Name: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one | | Formula: | C20 H19 N3 O3 | | SMILES: | O=C(C1=CC(=O)Nc2ccccc21)N1CC(Nc2ccccc2OC)C1 | | InChi: | InChI=1S/C20H19N3O3/c1-26-18-9-5-4-8-17(18)21-13-11-23(12-13)20(25)15-10-19(24)22-16-7-3-2-6-14(15)16/h2-10,13,21H,11-12H2,1H3,(H,22,24) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one |
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 | | OO6 | | Name: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H17 Cl N2 O2 | | SMILES: | Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 2QY | | Name: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid | | Formula: | C10 H11 N O3 | | SMILES: | O=C(O)/C(=C/c1ccc(O)cc1)NC | | InChi: | InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6- | | Definition date: | 2014-01-09 | | Last modified: | 2023-11-03 | | Release date: | 2014-04-02 | | Identifier: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
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 | | 2R3 | | Name: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine | | Formula: | C10 H13 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(OC)cc1 | | InChi: | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1 | | Definition date: | 2014-01-10 | | Last modified: | 2023-11-03 | | Release date: | 2014-04-02 | | Identifier: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
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 | | OPR | | Name: | (5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid | | Formula: | C9 H18 N4 O3 | | SMILES: | O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O | | InChi: | InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid |
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 | | OPU | | Name: | (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H15 Cl N4 O2 | | SMILES: | Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C17H15ClN4O2/c1-10-4-6-22-9-19-21-16(22)15(10)20-17(23)12-5-7-24-14-3-2-11(18)8-13(12)14/h2-4,6,8-9,12H,5,7H2,1H3,(H,20,23)/t12-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 2SO | | Name: | 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine | | Formula: | C24 H38 N3 O4 | | SMILES: | O=C(O)C(N)Cc1c[n+](cn1CCCCCCCCc2ccccc2)CCC(O)CO | | InChi: | InChI=1S/C24H37N3O4/c25-23(24(30)31)16-21-17-26(15-13-22(29)18-28)19-27(21)14-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,17,19,22-23,28-29H,1-4,6,9-10,13-16,18,25H2/p+1/t22-,23+/m1/s1 | | Definition date: | 2014-01-23 | | Last modified: | 2023-11-03 | | Release date: | 2014-01-29 | | Identifier: | 3-{3-[(3R)-3,4-dihydroxybutyl]-1-(8-phenyloctyl)-1H-imidazol-3-ium-5-yl}-L-alanine |
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 | | OQF | | Name: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide | | Formula: | C20 H20 N6 O S | | SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1cscn1)c1ccc(cc1)N(C)C | | InChi: | InChI=1S/C20H20N6OS/c1-24(2)16-7-9-17(10-8-16)25(11-15-13-28-14-21-15)20(27)12-26-19-6-4-3-5-18(19)22-23-26/h3-10,13-14H,11-12H2,1-2H3 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide |
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 | | OQL | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide | | Formula: | C19 H16 Cl N3 O | | SMILES: | Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H16ClN3O/c20-13-5-6-17-16(9-13)15(7-8-22-17)19(24)23-18-11-21-10-12-3-1-2-4-14(12)18/h1-6,9-11,15,22H,7-8H2,(H,23,24)/t15-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
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 | | OQX | | Name: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide | | Formula: | C22 H19 Cl N4 O2 | | SMILES: | COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21 | | InChi: | InChI=1S/C22H19ClN4O2/c1-29-19-11-9-18(10-12-19)26(14-16-5-4-6-17(23)13-16)22(28)15-27-21-8-3-2-7-20(21)24-25-27/h2-13H,14-15H2,1H3 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide |
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 | | 2TY | | Name: | 2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE | | Formula: | C17 H18 N2 O4 | | SMILES: | O=C(O)C(N)Cc2cc(N=CCc1ccccc1)c(O)cc2O | | InChi: | InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,7,9-10,13,20-21H,6,8,18H2,(H,22,23)/b19-7+/t13-/m0/s1 | | Definition date: | 2005-07-07 | | Last modified: | 2023-11-03 | | Identifier: | 2-hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine |
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 | | ORR | | Name: | 1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one | | Formula: | C16 H16 Cl N3 O | | SMILES: | Clc1cccc(c1)CC(=O)N1CCCc2c1cncc2N | | InChi: | InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-6-2-5-13-14(18)9-19-10-15(13)20/h1,3-4,7,9-10H,2,5-6,8,18H2 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one |
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 | | 2UE | | Name: | 1-[4-(2-oxoethyl)benzyl]guanidine | | Formula: | C10 H13 N3 O | | SMILES: | C(c1ccc(cc1)CNC(N)=[N@H])C=O | | InChi: | InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-8(2-4-9)5-6-14/h1-4,6H,5,7H2,(H4,11,12,13) | | Definition date: | 2015-06-22 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-01 | | Identifier: | 1-[4-(2-oxoethyl)benzyl]guanidine |
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 | | OSI | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C20 H17 Cl N2 O2 | | SMILES: | Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H17ClN2O2/c1-20(8-9-25-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | OT6 | | Name: | 2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C19 H21 Cl N4 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(NCC(C)(C)C#N)cc(Cl)c1 | | InChi: | InChI=1S/C19H21ClN4O/c1-13-4-5-22-10-17(13)24-18(25)8-14-6-15(20)9-16(7-14)23-12-19(2,3)11-21/h4-7,9-10,23H,8,12H2,1-3H3,(H,24,25) | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
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 | | OTV | | Name: | 2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide | | Formula: | C18 H17 Cl F3 N3 O | | SMILES: | O=C(Nc1cnccc1C)Cc1cc(NC2CC2C(F)(F)F)cc(Cl)c1 | | InChi: | InChI=1S/C18H17ClF3N3O/c1-10-2-3-23-9-16(10)25-17(26)6-11-4-12(19)7-13(5-11)24-15-8-14(15)18(20,21)22/h2-5,7,9,14-15,24H,6,8H2,1H3,(H,25,26)/t14-,15+/m1/s1 | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
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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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 | | OTZ | | Name: | 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid | | Formula: | C8 H7 N3 O3 S | | SMILES: | NCc1occ(n1)c2scc(n2)C(O)=O | | InChi: | InChI=1S/C8H7N3O3S/c9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13/h2-3H,1,9H2,(H,12,13) | | Definition date: | 2018-06-04 | | Last modified: | 2023-11-03 | | Release date: | 2019-01-30 | | Identifier: | 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid |
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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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 | | 7BB | | Name: | trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid | | Formula: | C15 H24 N2 O6 S | | SMILES: | O=C(OC1CCC(C(=O)O)CC1)N(C(=CS)N)CCCCC(=O)O | | InChi: | InChI=1S/C15H24N2O6S/c16-12(9-24)17(8-2-1-3-13(18)19)15(22)23-11-6-4-10(5-7-11)14(20)21/h9-11,24H,1-8,16H2,(H,18,19)(H,20,21)/b12-9+/t10-,11- | | Definition date: | 2012-01-04 | | Last modified: | 2023-11-03 | | Identifier: | trans-4-({[(E)-1-amino-2-sulfanylethenyl](4-carboxybutyl)carbamoyl}oxy)cyclohexanecarboxylic acid |
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 | | OUR | | Name: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium | | Formula: | C7 H18 N5 O2 | | SMILES: | N[CH](CCCNC(N)=[NH2+])CNC(O)=O | | InChi: | InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2023-11-03 | | Release date: | 2017-04-12 | | Identifier: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium |
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