Boc Velpatasvir R, R Isomer (Benzimidazole and Methyl)

Analyte Name

Boc Velpatasvir R, R Isomer (Benzimidazole and Methyl)

Molecular Formula

C44H53N7O7

Molecular Weight

791.95

Accurate Mass

791.4

SMILES

COC[C@@H]1CN(C(OC(C)(C)C)=O)[C@H](C2=NC(C3=CC=C(C4=CC5=CC=C(N=C([C@H]6CC[C@@H](C)N6C([C@@H](NC(OC)=O)C(C)C)=O)N7)C7=C5C=C4OC8)C8=C3)=CN2)C1

InChI

InChI=1S/C44H53N7O7/c1-23(2)37(49-42(53)56-8)41(52)51-24(3)9-14-34(51)40-46-32-13-11-26-17-31-29-12-10-27(16-28(29)22-57-36(31)18-30(26)38(32)48-40)33-19-45-39(47-33)35-15-25(21-55-7)20-50(35)43(54)58-44(4,5)6/h10-13,16-19,23-25,34-35,37H,9,14-15,20-22H2,1-8H3,(H,45,47)(H,46,48)(H,49,53)/t24-,25+,34-,35+,37+/m1/s1

IUPAC

tert-butyl (2S,4S)-2-(4-(2-((2R,5R)-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)pyrrolidine-1-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat