Eluxadoline

CAS 864821-90-9

Overview

Eluxadoline , 864821-90-9, 5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid

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Eluxadoline

Cat. No. ANTPRD9568CAS 864821-90-9In Stock

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Technical Data

Cat. No.ANTPRD9568

CAS864821-90-9

Mol. FormulaC₃₂H₃₅N₅O₅

Mol. Weight569.662 g/mol

IUPAC5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid

SMILESCOc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O

InChIInChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1

InChI KeyQFNHIDANIVGXPE-FNZWTVRRSA-N

Synonyms

EluxadolineViberzitruberziJNJ-27018966eluxadolinaCHEBI:85980Benzoic acid, 5-((((2S)-2-amino-3-(4-(aminocarbonyl)-2,6-dimethylphenyl)-1-oxopropyl)((1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)amino)methyl)-2-methoxy-5-({(4-carbamoyl-2,6-dimethyl-L-phenylalanyl)[(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)-2-methoxybenzoic acideluxadolinum5-((((2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl)-((1S)-1-(4-phenyl-3H-imidazol-2-yl)ethyl)amino)methyl)-2-methoxybenzoic acid