Analyte Name

Desmethyl Methoxymethyl (2S)-Desphenyl Isopropyl Velpatasvir

CAS Number

1377049-43-8

Molecular Formula

C45H54N8O7

Molecular Weight

818.98

Accurate Mass

818.41

SMILES

COC(N[C@@H](C(C)C)C(N1[C@@H](CC[C@@H]1C)C2=NC3=C(C4=C(C=C3)C=C5C(OCC6=CC(C7=CN=C([C@H]8N([C@H](CC8)C)C([C@H](C(C)C)NC(OC)=O)=O)N7)=CC=C65)=C4)N2)=O)=O

InChI

InChI=1S/C45H54N8O7/c1-22(2)37(50-44(56)58-7)42(54)52-24(5)9-15-34(52)40-46-20-33(48-40)27-11-13-29-28(17-27)21-60-36-19-30-26(18-31(29)36)12-14-32-39(30)49-41(47-32)35-16-10-25(6)53(35)43(55)38(23(3)4)51-45(57)59-8/h11-14,17-20,22-25,34-35,37-38H,9-10,15-16,21H2,1-8H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t24-,25-,34-,35-,37-,38-/m0/s1

IUPAC

Methyl ((S)-1-((2S,5S)-2-(9-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-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

Country of Origin

CANADA

Product Format

Neat