Analyte Name

Sitagliptin FP-Ima A

Molecular Formula

C20 H18 F6 N6 O6

Molecular Weight

552.384

Accurate Mass

552.119

SMILES

OC(=O)CC(N(N=O)[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F)C(=O)O

InChI

InChI=1S/C20H18F6N6O6/c21-11-6-13(23)12(22)4-9(11)3-10(32(29-38)14(18(36)37)7-17(34)35)5-16(33)30-1-2-31-15(8-30)27-28-19(31)20(24,25)26/h4,6,10,14H,1-3,5,7-8H2,(H,34,35)(H,36,37)/t10-,14?/m1/s1

IUPAC

2-[nitroso-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat