Daclatasvir

Product Specifications

CAS Number

1009119-64-5

Synonyms

Carbamic acid, N,N'-[[1,1'-biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]bis-, C,C'-dimethyl ester; BMS 790052; Daclatasvir; Daklinza; EBP 883

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2nc(c[nH]2)c3ccc(cc3)c4ccc(cc4)c5c[nH]c(n5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C

Molecular Formula

C40 H50 N8 O6

Molecular Weight

738.88

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-/m0/s1

Additionnal Information

IUPAC name: methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate