Analyte Name

Valsartan Acyl Glucuronide

Molecular Formula

C30 H37 N5 O9

Molecular Weight

611.643

Accurate Mass

611.259

SMILES

CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)[C@@H](C(C)C)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O

InChI

InChI=1S/C30H37N5O9/c1-4-5-10-21(36)35(22(16(2)3)29(42)44-30-25(39)23(37)24(38)26(43-30)28(40)41)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)27-31-33-34-32-27/h6-9,11-14,16,22-26,30,37-39H,4-5,10,15H2,1-3H3,(H,40,41)(H,31,32,33,34)/t22-,23-,24-,25+,26-,30-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]oxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat