Analyte Name

Ritonavir O-beta-D-Glucuronide

CAS Number

190649-36-6

Molecular Formula

C43 H56 N6 O11 S2

Molecular Weight

897.07

Accurate Mass

896.3448

SMILES

CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[C@H](Cc3ccccc3)NC(=O)OCc4cncs4)Cc5ccccc5

InChI

InChI=1S/C43H56N6O11S2/c1-24(2)33(48-42(56)49(5)20-29-22-61-39(46-29)25(3)4)38(53)45-28(16-26-12-8-6-9-13-26)18-32(59-41-36(52)34(50)35(51)37(60-41)40(54)55)31(17-27-14-10-7-11-15-27)47-43(57)58-21-30-19-44-23-62-30/h6-15,19,22-25,28,31-37,41,50-52H,16-18,20-21H2,1-5H3,(H,45,53)(H,47,57)(H,48,56)(H,54,55)/t28-,31-,32-,33-,34-,35-,36+,37-,41+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1S,3S)-3-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-1-[(1S)-2-phenyl-1-(thiazol-5-ylmethoxycarbonylamino)ethyl]butoxy]tetrahydropyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat