Analyte Name

O-Demethoxypropane Aliskiren

CAS Number

949925-77-3

Molecular Formula

C26 H45 N3 O5

Molecular Weight

479.653

Accurate Mass

479.336

SMILES

COc1ccc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)C(C)C)cc1O

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

IUPAC

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[(3-hydroxy-4-methoxyphenyl)methyl]-8-methyl-2-propan-2-ylnonanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat