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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

2-Methylpropan-2-aminium (E)-4-(((2R,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobut-2-enoate

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Catalogue No.:	VE0028695
CAS No.:	N/A
Mol. Formula:	C28H38N2O5
Mol. Weight:	482.61 g/mol

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Additional information on

Parent drug

Sacubitril

IUPAC Name

2-Methylpropan-2-aminium (E)-4-(((2R,4R)-1-([1,1′-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobut-2-enoate

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

CC([NH3+])(C)C.CCOC([C@H](C)C[C@H](CC1=CC=C(C2=CC=CC=C2)C=C1)NC(/C=C/C([O-])=O)=O)=O

InChI

InChI=1S/C24H27NO5.C4H11N/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;1-4(2,3)5/h4-14,17,21H,3,15-16H2,1-2H3,(H,25,26)(H,27,28);5H2,1-3H3/b14-13+;/t17-,21-;/m1./s1

Description

2-Methylpropan-2-aminium (E)-4-(((2R,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobut-2-enoate, formula C28H38N2O5, molecular weight 482.61 g/mol, is a defined salt form of a complex unsaturated amide-related impurity associated with the biphenyl-containing drug scaffold. Its structure contains a conjugated but-2-enoate motif and a chiral side chain, indicating formation through synthetic intermediate carryover, amidation side reactions, or oxidative and hydrolytic degradation of the parent molecule. Because such impurities can persist at low levels and exhibit distinct chromatographic behavior, characterization commonly relies on LC-MS/MS, high-resolution LC-MS, and, when needed, NMR confirmation. Under impurity risk assessment frameworks, it is evaluated as a process-related or degradant species rather than a pharmacologically active component.