 | | DFF | | Name: | 4-benzoyl-D-phenylalanine | | Formula: | C16 H15 N O3 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2 | | InChi: | InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1 | | Definition date: | 2013-12-24 | | Last modified: | 2023-11-03 | | Release date: | 2014-05-21 | | Identifier: | 4-benzoyl-D-phenylalanine |
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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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 | | 9DQ | | Name: | (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid | | Formula: | C4 H7 N5 O2 | | SMILES: | N[CH](Cc1[nH]nnn1)C(O)=O | | InChi: | InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1 | | Definition date: | 2017-05-11 | | Last modified: | 2023-11-03 | | Release date: | 2017-06-14 | | Identifier: | (2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)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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 | | DHA | | Name: | 2-AMINO-ACRYLIC ACID | | Formula: | C3 H5 N O2 | | SMILES: | O=C(O)C(=C)N | | InChi: | InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6) | | Synonyms: | 2,3-DIDEHYDROALANINE | | Definition date: | 1999-11-22 | | Last modified: | 2023-11-03 | | Identifier: | 2-aminoprop-2-enoic acid |
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 | | 9FB | | Name: | (1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | N[CH]1CCC[CH]1C(O)=O | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1 | | Definition date: | 2017-05-16 | | Last modified: | 2023-11-03 | | Release date: | 2020-10-28 | | Identifier: | (1~{S},2~{R})-2-azanylcyclopentane-1-carboxylic acid |
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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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 | | RD5 | | Name: | 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C19 H18 Cl N3 O3 S | | SMILES: | CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H18ClN3O3S/c1-27(25,26)22-11-13-6-7-16(20)8-15(13)9-19(24)23-18-12-21-10-14-4-2-3-5-17(14)18/h2-8,10,12,22H,9,11H2,1H3,(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide |
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 | | RDK | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C19 H16 Cl N3 O3 S | | SMILES: | Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C19H16ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | RDQ | | Name: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H22 Cl N5 O5 S | | SMILES: | CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C23H22ClN5O5S/c1-25-21(30)12-29-11-19(18-7-14(24)4-6-16(18)23(29)32)22(31)27-20-10-26-9-13-3-5-15(8-17(13)20)28-35(2,33)34/h3-10,19,28H,11-12H2,1-2H3,(H,25,30)(H,27,31)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RDX | | Name: | (4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H23 Cl N4 O4 S | | SMILES: | OCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H23ClN4O4S/c1-26(8-9-28)32(30,31)27-13-16-6-7-17(23)10-19(16)20(14-27)22(29)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20,28H,8-9,13-14H2,1H3,(H,25,29)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-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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 | | 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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 | | 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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 | | RF9 | | Name: | N~6~-[(1R)-1-carboxyethyl]-L-lysine | | Formula: | C9 H18 N2 O4 | | SMILES: | NC(CCCCNC(C)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1 | | Definition date: | 2019-02-05 | | Last modified: | 2023-11-03 | | Release date: | 2019-02-27 | | Identifier: | N~6~-[(1R)-1-carboxyethyl]-L-lysine |
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 | | RFF | | Name: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N6 O3 S | | SMILES: | Cn1ncc2cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)CC3(C#N)CC3)c12 | | InChi: | InChI=1S/C22H21ClN6O3S/c1-28-20-15(8-26-28)7-25-9-19(20)27-21(30)18-11-29(10-14-2-3-16(23)6-17(14)18)33(31,32)13-22(12-24)4-5-22/h2-3,6-9,18H,4-5,10-11,13H2,1H3,(H,27,30)/t18-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RG3 | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H21 Cl N4 O5 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C23H21ClN4O5S/c1-25-21(29)12-28-11-19(18-8-14(24)3-5-17(18)23(28)31)22(30)27-20-10-26-9-13-7-15(34(2,32)33)4-6-16(13)20/h3-10,19H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RG9 | | Name: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide | | Formula: | C20 H19 Cl N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O | | InChi: | InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide |
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 | | RGX | | Name: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N4 O3 S | | SMILES: | O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RI1 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide | | Formula: | C18 H14 Cl N3 O3 S | | SMILES: | Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C18H14ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h1-8,10,15,21H,9H2,(H,22,23)/t15-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
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 | | RIU | | Name: | 2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide | | Formula: | C21 H22 Cl N3 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C | | InChi: | InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide |
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 | | RIY | | Name: | (4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C21 H21 Cl N4 O3 S | | SMILES: | CCNS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C21H21ClN4O3S/c1-2-24-30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)25-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19,24H,2,12-13H2,1H3,(H,25,27)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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