(2S,4R)-Sacubitril

Analyte Name

(2S,4R)-Sacubitril

CAS Number

761373-05-1

Molecular Formula

C24 H29 N O5

Molecular Weight

411.49

Accurate Mass

411.2046

SMILES

CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O

InChI

InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m0/s1

IUPAC

4-[[(2R,4S)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Sacubitril

Purity

>95% (HPLC)