Velpatasvir-d6

Analyte Name

Velpatasvir-d6

Molecular Formula

C₄₉H₄₈D₆N₈O₈

Molecular Weight

889.04

Accurate Mass

888.44

SMILES

O=C(OC([2H])([2H])[2H])N[C@@H](C(C)C)C(N1[C@H](C2=NC3=CC=C4C=C5C(OCC6=C5C=CC(C7=CN=C([C@H]8N(C([C@H](NC(OC([2H])([2H])[2H])=O)C9=CC=CC=C9)=O)C[C@@H](COC)C8)N7)=C6)=CC4=C3N2)CC[C@@H]1C)=O

InChI

InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1/i5D3,6D3

IUPAC

methyl-d3 ((S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((R)-2-(((methoxy-d3)carbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Unlabelled CAS Number

1377049-84-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat