Desthiazolylmethyloxycarbonyl Ritonavir-d6

Analyte Name

Desthiazolylmethyloxycarbonyl Ritonavir thiazolyl-isopropyl-1,1,1,3,3,3-d6

CAS Number

1217772-02-5

Molecular Formula

C32 D6 H39 N5 O3 S

Molecular Weight

585.83

Accurate Mass

585.362

SMILES

[2H]C([2H])([2H])C(c1nc(CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@@H](N)Cc2ccccc2)Cc3ccccc3)cs1)C([2H])([2H])[2H]

InChI

InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1/i3D3,4D3

IUPAC

(2S)-N-[(1S,3S,4S)-4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-[[methyl-[[2-[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]thiazol-4-yl]methyl]carbamoyl]amino]butanamide

Alternate CAS Number

Relative stereochemistry: 1217772-02-5

Unlabelled CAS Number

176655-55-3

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat