N-Acetyl Daclatasvir

Product Specifications

CAS Number

1800502-75-3

Hazard Statement

Causes skin irritation

Smiles

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c2ncc(c3ccc(cc3)c4ccc(cc4)c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5C(=O)C)n2C(=O)C

Molecular Formula

C44 H54 N8 O8

Molecular Weight

822.948

InChI

InChI=1S/C44H54N8O8/c1-25(2)37(47-43(57)59-7)41(55)49-21-9-11-33(49)39-45-23-35(51(39)27(5)53)31-17-13-29(14-18-31)30-15-19-32(20-16-30)36-24-46-40(52(36)28(6)54)34-12-10-22-50(34)42(56)38(26(3)4)48-44(58)60-8/h13-20,23-26,33-34,37-38H,9-12,21-22H2,1-8H3,(H,47,57)(H,48,58)/t33-,34-,37-,38-/m0/s1

Additionnal Information

IUPAC name: methyl N-[(2S)-1-[(2S)-2-[1-acetyl-5-[4-[4-[3-acetyl-2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]imidazol-4-yl]phenyl]phenyl]imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate