Sacubitril-valsartan

C48H60N6NaO9CAS 936623-90-4888.03 g/mol

Open in Covalent MOL file
ONNNHNNO−OOOHNOOHOH2ONa+H
AmideCarboxylic acidEster

Properties

Molecular formula
C48H60N6NaO9
Molar mass
888.03 g/mol
Exact mass
887.4319 Da
logP
7.74Crippen estimate
Polar surface area
239.8 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
21
Stereocentres
S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
936623-90-4
SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C([O-])=O)C(C)C.CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O.O.[Na+].[H]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • L-Valine, N-(1-oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, compd. with α-ethyl (αR,γS)-γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl[1,1′-biphenyl]-4-pentanoate, sodium salt, hydrate (2:2:6:5)
  • LCZ 696
  • Entresto
  • Sacubitril-valsartan mixt.
  • Neparvis

Work with Sacubitril-valsartan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Valsartan137862-53-4Free acid Sacubitril149709-62-6Free acid Sacubitril hemicalcium salt1369773-39-6Salt

Similar compounds

N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester137863-20-856 % similar N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-L-valine methyl ester137863-17-353 % similar Triphyl valsartan195435-23-541 % similar Irbesartan138402-11-636 % similar (2R,4S)-4-Amino-5-(biphenyl-4-yl)-2-methylpentanoic acid ethyl ester hydrochloride149690-12-032 % similar Losartan carboxylic acid124750-92-131 % similar Ethyl 2-ethoxy-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylate139481-58-631 % similar Candesartan139481-59-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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