Analyte Name

Daclatasvir Diethyl Ester-d10

Molecular Formula

C42 D10 H44 N8 O6

Molecular Weight

776.99

Accurate Mass

776.479

SMILES

[2H]C([2H])([2H])C([2H])([2H])OC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c2ncc([nH]2)c3ccc(cc3)c4ccc(cc4)c5cnc([nH]5)[C@H]6CCCN6C(=O)[C@@H](NC(=O)OC([2H])([2H])C([2H])([2H])[2H])C(C)C

InChI

InChI=1S/C42H54N8O6/c1-7-55-41(53)47-35(25(3)4)39(51)49-21-9-11-33(49)37-43-23-31(45-37)29-17-13-27(14-18-29)28-15-19-30(20-16-28)32-24-44-38(46-32)34-12-10-22-50(34)40(52)36(26(5)6)48-42(54)56-8-2/h13-20,23-26,33-36H,7-12,21-22H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t33-,34-,35+,36+/m1/s1/i1D3,2D3,7D2,8D2

IUPAC

1,1,2,2,2-pentadeuterioethyl N-[(2S)-3-methyl-1-[(2R)-2-[5-[4-[4-[2-[(2R)-1-[(2S)-3-methyl-2-(1,1,2,2,2-pentadeuterioethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

Unlabelled CAS Number

1009113-58-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat