Analyte Name

Eluxadoline-glucuronide

Molecular Formula

C38 H43 N5 O11

Molecular Weight

745.775

Accurate Mass

745.296

SMILES

COc1ccc(CN([C@@H](C)c2ncc([nH]2)c3ccccc3)C(=O)[C@@H](N)Cc4c(C)cc(cc4C)C(=O)N)cc1C(=O)O[C@@H]5O[C@@H]([C@@H](O)C(O)[C@H]5O)C(=O)O

InChI

InChI=1S/C38H43N5O11/c1-18-12-23(33(40)47)13-19(2)24(18)15-26(39)35(48)43(20(3)34-41-16-27(42-34)22-8-6-5-7-9-22)17-21-10-11-28(52-4)25(14-21)37(51)54-38-31(46)29(44)30(45)32(53-38)36(49)50/h5-14,16,20,26,29-32,38,44-46H,15,17,39H2,1-4H3,(H2,40,47)(H,41,42)(H,49,50)/t20-,26-,29?,30-,31+,32-,38-/m0/s1

IUPAC

(2S,3S,5R,6S)-6-[5-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat