Analyte Name

N-Des(Methoxycarbonyl)phenylglycine N-tertButyloxycarbonyl Velpatasvir-d8

CAS Number

2172676-00-3

Molecular Formula

C49H46D8N8O8

Molecular Weight

891.05

SMILES

C([C@@](NC(OC)=O)(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])[2H])(=O)N1[C@H](C=2NC=3C4=C(C=C5C(=C4)OCC=6C5=CC=C(C6)C=7NC(=NC7)[C@H]8N(C([C@H](NC(OC)=O)C9=CC=CC=C9)=O)C[C@@H](COC)C8)C=CC3N2)CC[C@@H]1C

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/i1D3,2D3,26D,41D

Unlabelled CAS Number

1378391-45-7

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat