(2R)-Aliskiren (Aliskiren Impurity)

Analyte Name

(2R)-Aliskiren (Aliskiren Impurity)

CAS Number

1609187-70-3

Molecular Formula

C30 H53 N3 O6

Molecular Weight

551.758

Accurate Mass

551.393

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)ccc1OC

InChI

InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23+,24-,25-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat