Analyte Name

Daclatasvir RRSS Isomer

CAS Number

1009117-94-5

Molecular Formula

C40H50N8O6

Molecular Weight

738.89

Accurate Mass

738.39

SMILES

COC(N[C@H](C(C)C)C(N1[C@@H](C2=NC=C(C3=CC=C(C4=CC=C(C5=CN=C([C@H]6N(CCC6)C([C@H](C(C)C)NC(OC)=O)=O)N5)C=C4)C=C3)N2)CCC1)=O)=O

InChI

InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32+,33-,34+

IUPAC

methyl ((R)-1-((R)-2-(5-(4'-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat