Analyte Name

4-O-Demtheyl Aliskiren

CAS Number

949925-74-0

Molecular Formula

C29 H51 N3 O6

Molecular Weight

537.732

Accurate Mass

537.378

SMILES

COCCCOc1cc(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)ccc1O

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

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat