N-Acetyl Daclatasvir-d6
Product Code
TRC-A172162-10MG
Product Format
Neat
Molecular Formula
C44 D6 H48 N8 O8
Molecular Weight
828.985
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledProduct Information
Chemical Data
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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat