Analyte Name

Lopinavir 4-O-Tetrahydropyrimidin-2-(1H)-onyl-L-valinate-d8

Molecular Formula

C46 D8 H54 N6 O7

Molecular Weight

819.07

Accurate Mass

818.518

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@]([2H])(N1CCCNC1=O)C(=O)O[C@@H](C[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N3CCCNC3=O)[C@H](Cc4ccccc4)NC(=O)COc5c(C)cccc5C

InChI

InChI=1S/C46H62N6O7/c1-30(2)40(51-24-14-22-47-45(51)56)43(54)49-36(26-34-18-9-7-10-19-34)28-38(59-44(55)41(31(3)4)52-25-15-23-48-46(52)57)37(27-35-20-11-8-12-21-35)50-39(53)29-58-42-32(5)16-13-17-33(42)6/h7-13,16-21,30-31,36-38,40-41H,14-15,22-29H2,1-6H3,(H,47,56)(H,48,57)(H,49,54)(H,50,53)/t36-,37-,38-,40-,41-/m0/s1/i3D3,4D3,31D,41D

IUPAC

[(2S,3S,5S)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-5-[[(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoyl]amino]-1,6-diphenylhexan-3-yl] (2S)-2,3,4,4,4-pentadeuterio-2-(2-oxo-1,3-diazinan-1-yl)-3-(trideuteriomethyl)butanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat