N-Acetyl Daclatasvir-d6

Analyte Name

N-Acetyl Daclatasvir-d6

Molecular Formula

C44 D6 H48 N8 O8

Molecular Weight

828.985

Accurate Mass

828.444

SMILES

[2H]C([2H])([2H])C(=O)n1c(ncc1c2ccc(cc2)c3ccc(cc3)c4cnc([C@@H]5CCCN5C(=O)C(NC(=O)OC)C(C)C)n4C(=O)C([2H])([2H])[2H])[C@@H]6CCCN6C(=O)C(NC(=O)OC)C(C)C

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/i5D3,6D3

IUPAC

methyl N-[1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3-(2,2,2-trideuterioacetyl)imidazol-4-yl]phenyl]phenyl]-1-(2,2,2-trideuterioacetyl)imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat