Analyte Name

(2R)-Darunavir-d9

Molecular Formula

C27H28D9N3O7S

Molecular Weight

556.72

Accurate Mass

556.29

SMILES

O=C(N[C@H](CC1=CC=CC=C1)[C@H](O)CN(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])S(C2=CC=C(N)C=C2)(=O)=O)O[C@@]3([H])CO[C@]4([H])[C@@]3([H])CCO4

InChI

InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23+,24+,25-,26+/m0/s1/i1D3,2D3,15D2,18D

IUPAC

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2R,3R)-4-((4-amino-N-(2-(methyl-d3)propyl-1,1,2,3,3,3-d6)phenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

Unlabelled CAS Number

1546918-95-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat