Analyte Name

Aliskiren Carboxylic Acid

CAS Number

173400-13-0

Molecular Formula

C30H52N2O7

Molecular Weight

552.74

Accurate Mass

552.38

SMILES

COCCCOC1=C(C=CC(C[C@H](C(C)C)C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(NCC(C)(C)C(O)=O)=O)=C1)OC

InChI

InChI=1S/C30H52N2O7/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(33)17-23(20(3)4)28(34)32-18-30(5,6)29(35)36/h10-11,15,19-20,22-25,33H,9,12-14,16-18,31H2,1-8H3,(H,32,34)(H,35,36)/t22-,23-,24-,25-/m0/s1

IUPAC

3-((2S,4S,5S,7S)-5-amino-4-hydroxy-2-isopropyl-7-(4-methoxy-3-(3-methoxypropoxy)benzyl)-8-methylnonanamido)-2,2-dimethylpropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat