Analyte Name

(2S,4S)-Sacubitril Calcium

CAS Number

3081732-57-9

Molecular Formula

2C24H28NO5.Ca

Molecular Weight

861.04

Accurate Mass

860.36

SMILES

CCOC([C@H](C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(CCC([O-])=O)=O)C)=O.CCOC([C@H](C[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4)NC(CCC([O-])=O)=O)C)=O.[Ca+2]

InChI

InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(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;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21-;/m00./s1

IUPAC

Calcium bis(4-[[(1S,3S)-4-ethoxy-3-methyl-4-oxo-1-[(4-phenylphenyl)methyl]butyl]amino]-4-oxo-butanoate)

Country of Origin

CANADA

Product Format

Neat