Analyte Name

Narlaprevir-d4

Molecular Formula

C36 D4 H57 N5 O7 S

Molecular Weight

711.989

Accurate Mass

711.454

SMILES

[2H]C1([2H])C(NC(=O)C(=O)[C@H](CCCC)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(C)C)C3(C)C)C1([2H])[2H]

InChI

InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1/i16D2,17D2

IUPAC

(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1,2-dioxo-1-[(2,2,3,3-tetradeuteriocyclopropyl)amino]heptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Unlabelled CAS Number

865466-24-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat