Analyte Name

(R)-Telaprevir-d4

Molecular Formula

C36H49D4N7O6

Molecular Weight

683.87

Accurate Mass

683.43

SMILES

[H][C@]12CCC[C@]1(CN([C@@H]2C(N[C@@H](C(C(NC3C([2H])(C3([2H])[2H])[2H])=O)=O)CCC)=O)C([C@@H](NC([C@@H](NC(C4=NC=CN=C4)=O)C5CCCCC5)=O)C(C)(C)C)=O)[H]

InChI

InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25+,27-,28-,30+/m0/s1/i15D2,16D2

IUPAC

(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((R)-1-((cyclopropyl-2,2,3,3-d4)amino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide

Unlabelled CAS Number

923270-50-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat