Analyte Name

Nateglinide Acyl-beta-D-glucuronide Benzyl Ester

Molecular Formula

C32H41NO9

Molecular Weight

583.67

Accurate Mass

583.28

SMILES

O=C([C@H]1CC[C@H](C(C)C)CC1)N[C@@H](C(O[C@@H]2O[C@H](C(OCC3=CC=CC=C3)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)CC4=CC=CC=C4

InChI

InChI=1S/C32H41NO9/c1-19(2)22-13-15-23(16-14-22)29(37)33-24(17-20-9-5-3-6-10-20)30(38)42-32-27(36)25(34)26(35)28(41-32)31(39)40-18-21-11-7-4-8-12-21/h3-12,19,22-28,32,34-36H,13-18H2,1-2H3,(H,33,37)/t22-,23-,24-,25+,26+,27-,28+,32+/m1/s1

IUPAC

benzyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((((1r,4R)-4-isopropylcyclohexane-1-carbonyl)-D-phenylalanyl)oxy)tetrahydro-2H-pyran-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat