Isolopinavir-d9

Analyte Name

Isolopinavir-d9

Molecular Formula

C38 D9 H41 N4 O5

Molecular Weight

651.883

Accurate Mass

651.435

SMILES

[2H]c1c([2H])c(c(OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)CC)N4CCCNC4=O)c(c1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

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/i3D3,4D3,12D,14D,15D

IUPAC

(2R,3S)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-[[2-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenoxy]acetyl]amino]hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)pentanamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat