Analyte Name

Boc Velpatasvir Keto

Molecular Formula

C44H51N7O8

Molecular Weight

805.93

Accurate Mass

805.38

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=O)C8=C3)=CN2)C1

InChI

InChI=1S/C44H51N7O8/c1-22(2)36(49-42(54)57-8)40(52)51-23(3)9-14-33(51)39-46-31-13-11-25-16-29-27-12-10-26(17-30(27)41(53)58-35(29)18-28(25)37(31)48-39)32-19-45-38(47-32)34-15-24(21-56-7)20-50(34)43(55)59-44(4,5)6/h10-13,16-19,22-24,33-34,36H,9,14-15,20-21H2,1-8H3,(H,45,47)(H,46,48)(H,49,54)/t23-,24-,33-,34-,36-/m0/s1

IUPAC

tert-butyl (2S,4S)-2-(4-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-11-oxo-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate

Alternate CAS Number

1377049-84-7

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat