Analyte Name

Isolopinavir

CAS Number

1132765-59-3

Molecular Formula

C38 H50 N4 O5

Molecular Weight

642.827

Accurate Mass

642.378

SMILES

CC[C@H](C)[C@@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4

InChI

InChI=1S/C38H50N4O5/c1-5-26(2)35(42-21-13-20-39-38(42)46)37(45)40-31(22-29-16-8-6-9-17-29)24-33(43)32(23-30-18-10-7-11-19-30)41-34(44)25-47-36-27(3)14-12-15-28(36)4/h6-12,14-19,26,31-33,35,43H,5,13,20-25H2,1-4H3,(H,39,46)(H,40,45)(H,41,44)/t26-,31-,32-,33-,35+/m0/s1

IUPAC

(2R,3S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)pentanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat