Analyte Name

Aliskiren-d6 Carboxylic Acid

Molecular Formula

C30 D6 H46 N2 O7

Molecular Weight

558.78

Accurate Mass

558.415

SMILES

[2H]C([2H])([2H])C(CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)(C(=O)O)C([2H])([2H])[2H]

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/i5D3,6D3

IUPAC

2-[[[(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoyl]amino]methyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat