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Sacubitril metabolite LBQ657-[13C4]

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General Information
Catalog: BLP-004186
Molecular Formula: C18[13C]4H25NO5
Molecular Weight: 387.41

Chemical Structure

Description	Isotopic labelled Sacubitril metabolite LBQ657 is one of the impurities of Sacubitril which has been found to be an endopeptidase inhibitor and be effective in the treatment of hypertension and heart failure.
Synonyms	(2R,4S)-4-[3-carboxy(,1,2,3-13C4)propanamido]-2-methyl-5-(4-phenylphenyl)pentanoic acid
IUPAC Name	(2R,4S)-4-(3-hydroxycarbonyl(1,2,3-13C3)propanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
Related CAS	149709-44-4 (unlabelled)
Canonical SMILES	CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)O)C(=O)O
InChI	InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1/i11+1,12+1,20+1,21+1
InChI Key	DOBNVUFHFMVMDB-ZFEPDVFGSA-N
Purity	>98%; 99% atom 13C