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Sacubitril-[13C4]

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General Information
Catalog: BLP-004183
Molecular Formula: C20[13C]4H29NO5
Molecular Weight: 415.46

Chemical Structure

Description	Labelled Sacubitril. Sacubitril, also known as AHU377 or LCZ696, is an angiotensin receptor neprilysin inhibitor being studied for use in combination with valsartan for heart failure. Sacubitril is a prodrug that is activated to LBQ657 by de-ethylation via esterases. LBQ657 inhibits the enzyme neprilysin, which is responsible for the degradation of atrial and brain natriuretic peptide, two blood pressure lowering peptides that work mainly by reducing blood volume.
Synonyms	3-{[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl}(1,2,3C4)propanoic acid; [13C4]-Sacubitril
IUPAC Name	4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxo(1,2,3,4-13C4)butanoic acid
Related CAS	149709-62-6 (unlabelled)
Canonical SMILES	CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)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+/m1/s1/i13+1,14+1,22+1,23+1
InChI Key	PYNXFZCZUAOOQC-HNGKTKFSSA-N
Purity	>98%