 | | QZL | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H25 Cl N4 O3 S | | SMILES: | O=S(=O)(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)N1CCC(C)C1 | | InChi: | InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30)/t16-,22-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | OYX | | Name: | N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide | | Formula: | C24 H28 N2 O S | | SMILES: | O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1 | | InChi: | InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide |
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 | | QKR | | Name: | 2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide | | Formula: | C17 H10 Cl2 F2 N2 O | | SMILES: | Clc1ccc(cc1Cl)C(F)(F)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C17H10Cl2F2N2O/c18-13-6-5-11(7-14(13)19)17(20,21)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide |
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 | | RSL | | Name: | 4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate | | Formula: | C18 H15 Cl N2 O4 S | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OS(C)(=O)=O | | InChi: | InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-5-6-16-13(9-15)10-20-11-17(16)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate |
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 | | KU6 | | Name: | (4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C15 H15 Cl N4 O2 | | SMILES: | Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1 | | InChi: | InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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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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 | | QZU | | Name: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C23 H20 Cl N3 O3 | | SMILES: | C=CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C23H20ClN3O3/c1-2-21(28)26-14-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)27-19-13-25-12-15-5-3-4-6-17(15)19/h2-8,11-13H,1,9-10,14H2,(H,26,28)(H,27,29)/t23-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | QL3 | | Name: | N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide | | Formula: | C25 H21 Cl N4 O2 | | SMILES: | O=C(C)Nc1ccc(cn1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21 | | InChi: | InChI=1S/C25H21ClN4O2/c1-17(31)29-24-10-9-22(15-28-24)30(16-18-5-4-7-21(26)11-18)25(32)12-20-14-27-13-19-6-2-3-8-23(19)20/h2-11,13-15H,12,16H2,1H3,(H,28,29,31) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide |
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 | | OZC | | Name: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one | | Formula: | C20 H17 Cl N2 O | | SMILES: | Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O | | InChi: | InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
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 | | R08 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H20 Cl N5 O2 | | SMILES: | O=C(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)c1ccnn1C | | InChi: | InChI=1S/C24H20ClN5O2/c1-29-22(8-9-27-29)24(32)30-13-16-6-7-17(25)10-19(16)20(14-30)23(31)28-21-12-26-11-15-4-2-3-5-18(15)21/h2-12,20H,13-14H2,1H3,(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QLC | | Name: | (2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide | | Formula: | C20 H18 Cl2 N2 O3 | | SMILES: | Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide |
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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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 | | RT4 | | Name: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H21 Cl N4 O3 | | SMILES: | Clc1ccc2C(=O)N(CC(c2c1)C(=O)Nc1cncc2ccccc21)CC(=O)NC1CC1 | | InChi: | InChI=1S/C24H21ClN4O3/c25-15-5-8-18-19(9-15)20(12-29(24(18)32)13-22(30)27-16-6-7-16)23(31)28-21-11-26-10-14-3-1-2-4-17(14)21/h1-5,8-11,16,20H,6-7,12-13H2,(H,27,30)(H,28,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | QLG | | Name: | [(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMIDOYL]-4-(2-METHYLPROPYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C13 H18 N4 O4 | | SMILES: | O=C(N)CCC(=[N@H])C1=N/C(C(=O)N1CC(=O)O)=C/C(C)C | | InChi: | InChI=1S/C13H18N4O4/c1-7(2)5-9-13(21)17(6-11(19)20)12(16-9)8(14)3-4-10(15)18/h5,7,14H,3-4,6H2,1-2H3,(H2,15,18)(H,19,20)/b9-5+,14-8- | | Synonyms: | CHROMOPHORE (GLN-LEU-GLY) | | Definition date: | 2006-09-14 | | Last modified: | 2023-11-03 | | Identifier: | [(4E)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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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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 | | R0F | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C22 H21 Cl N4 O2 | | SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H21ClN4O2/c1-24-21(28)13-27-11-15-6-7-16(23)8-18(15)19(12-27)22(29)26-20-10-25-9-14-4-2-3-5-17(14)20/h2-10,19H,11-13H2,1H3,(H,24,28)(H,26,29)/t19-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | RT9 | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C24 H22 Cl N3 O5 S | | SMILES: | COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C24H22ClN3O5S/c1-33-24(8-9-24)14-34(31,32)28-13-20(19-10-16(25)6-7-18(19)23(28)30)22(29)27-21-12-26-11-15-4-2-3-5-17(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,27,29)/t20-/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)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | KUU | | Name: | (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide | | Formula: | C17 H19 Cl N2 O | | SMILES: | O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C | | InChi: | InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1 | | Definition date: | 2023-08-14 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide |
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 | | QLO | | Name: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C22 H20 Cl N3 O3 | | SMILES: | CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | R0K | | Name: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid | | Formula: | C11 H18 N2 O7 | | SMILES: | N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O | | InChi: | InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1 | | Definition date: | 2023-03-29 | | Last modified: | 2023-11-03 | | Release date: | 2023-04-05 | | Identifier: | (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid |
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 | | OZW | | Name: | phenylhydrazinyl phenylalanine | | Formula: | C15 H17 N3 O2 | | SMILES: | N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O | | InChi: | InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1 | | Definition date: | 2020-04-13 | | Last modified: | 2023-11-03 | | Release date: | 2020-07-22 | | Identifier: | (2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid |
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 | | SMF | | Name: | 4-SULFOMETHYL-L-PHENYLALANINE | | Formula: | C10 H13 N O5 S | | SMILES: | O=S(=O)(O)Cc1ccc(cc1)CC(N)C(=O)O | | InChi: | InChI=1S/C10H13NO5S/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H,14,15,16)/t9-/m0/s1 | | Definition date: | 2003-03-18 | | Last modified: | 2023-11-03 | | Identifier: | 4-(sulfomethyl)-L-phenylalanine |
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 | | OZX | | Name: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide | | Formula: | C16 H12 Cl N3 O | | SMILES: | Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1 | | InChi: | InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21) | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
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 | | KV6 | | Name: | (3R)-3-aminoheptadecanoic acid | | Formula: | C17 H35 N O2 | | SMILES: | NC(CCCCCCCCCCCCCC)CC(=O)O | | InChi: | InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1 | | Synonyms: | N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl
)-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl
]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide | | Definition date: | 2022-02-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-01 | | Identifier: | (3R)-3-aminoheptadecanoic acid |
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