Analyte Name

O-Demethoxypropane Aliskiren-d6

Molecular Formula

C26H39D6N3O5

Molecular Weight

485.7

Accurate Mass

485.37

SMILES

O=C(NCC(C(N)=O)(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@H](C(C)C)C[C@H](O)[C@@H](N)C[C@@H](C(C)C)CC1=CC=C(OC)C(O)=C1

InChI

InChI=1S/C26H45N3O5/c1-15(2)18(10-17-8-9-23(34-7)22(31)11-17)12-20(27)21(30)13-19(16(3)4)24(32)29-14-26(5,6)25(28)33/h8-9,11,15-16,18-21,30-31H,10,12-14,27H2,1-7H3,(H2,28,33)(H,29,32)/t18-,19-,20-,21-/m0/s1/i5D3,6D3

IUPAC

(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2-(methyl-d3)propyl-3,3,3-d3)-4-hydroxy-7-(3-hydroxy-4-methoxybenzyl)-2-isopropyl-8-methylnonanamide

Unlabelled CAS Number

949925-77-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat