Analyte Name

Ethoxy Velpatasvir

Molecular Formula

C51H58N8O9

Molecular Weight

927.07

Accurate Mass

926.43

SMILES

COC[C@@H]1CN(C([C@H](NC(OC)=O)C2=CC=CC=C2)=O)[C@H](C3=NC(C4=CC=C(C5=CC6=CC=C(N=C([C@@H]7CC[C@H](C)N7C([C@@H](NC(OC)=O)C(C)C)=O)N8)C8=C6C=C5OC9OCC)C9=C4)=CN3)C1

InChI

InChI=1S/C51H58N8O9/c1-8-67-49-36-22-32(38-24-52-45(54-38)40-20-29(26-64-5)25-58(40)47(60)43(57-51(63)66-7)30-12-10-9-11-13-30)15-17-33(36)35-21-31-16-18-37-44(34(31)23-41(35)68-49)55-46(53-37)39-19-14-28(4)59(39)48(61)42(27(2)3)56-50(62)65-6/h9-13,15-18,21-24,27-29,39-40,42-43,49H,8,14,19-20,25-26H2,1-7H3,(H,52,54)(H,53,55)(H,56,62)(H,57,63)/t28-,29-,39-,40-,42-,43+,49?/m0/s1

IUPAC

methyl ((1R)-2-((2S,4S)-2-(4-(11-ethoxy-2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl)carbamate

Alternate CAS Number

1377049-84-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat