Analyte Name

Monodes(N-carboxymethyl)valine Daclatasvir-d3

Molecular Formula

C33 D3 H36 N7 O3

Molecular Weight

584.726

Accurate Mass

584.33

SMILES

[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]6CCCN6

InChI

InChI=1S/C33H39N7O3/c1-20(2)29(39-33(42)43-3)32(41)40-17-5-7-28(40)31-36-19-27(38-31)24-14-10-22(11-15-24)21-8-12-23(13-9-21)26-18-35-30(37-26)25-6-4-16-34-25/h8-15,18-20,25,28-29,34H,4-7,16-17H2,1-3H3,(H,35,37)(H,36,38)(H,39,42)/t25-,28+,29-/m0/s1/i3D3

IUPAC

trideuteriomethyl N-[(2S)-3-methyl-1-oxo-1-[(2R)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Unlabelled CAS Number

1007884-60-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat