4-O-Demtheyl Aliskiren-d6

Analyte Name

4-O-Demtheyl Aliskiren-d6

Molecular Formula

C29H45D6N3O6

Molecular Weight

543.78

Accurate Mass

543.42

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(O)C(OCCCOC)=C1

InChI

InChI=1S/C29H51N3O6/c1-18(2)21(13-20-9-10-24(33)26(14-20)38-12-8-11-37-7)15-23(30)25(34)16-22(19(3)4)27(35)32-17-29(5,6)28(31)36/h9-10,14,18-19,21-23,25,33-34H,8,11-13,15-17,30H2,1-7H3,(H2,31,36)(H,32,35)/t21-,22-,23-,25-/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-(4-hydroxy-3-(3-methoxypropoxy)benzyl)-2-isopropyl-8-methylnonanamide

Unlabelled CAS Number

949925-74-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat