Analyte Name

Sacubitril-13C4 Sodium

Molecular Formula

13C4 C20 H28 N Na O5

Molecular Weight

437.443

Accurate Mass

437.2

SMILES

CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(cc1)c2ccccc2)N[13C](=O)[13CH2][13CH2][13C](=O)O[Na]

InChI

InChI=1S/C24H29NO5.Na/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);/q;+1/p-1/t17-,21+;/m1./s1/i13+1,14+1,22+1,23+1;

IUPAC

[4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxo(1,2,3,4-13C4)butanoyl]oxysodium

Unlabelled CAS Number

149690-05-1

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat