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Chemical structure of Sacubitril sodium

GB62196

Sacubitril sodium

Also known as sodium 4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate

Sacubitril, also known as AHU377, is angiotensin receptor neprilysin inhibitor being studied for use in combination with valsartan for heart failure

ChemicalCAS149690-05-1MW433.4798FormulaC24H28NNaO5
CAS number
149690-05-1
Molecular weight
433.4798
Formula
C24H28NNaO5
Solubility
DMSO : 50 mg/mL (115·35 mM; Need ultrasonic)
InChIKey
RRTBVEJIZWGATF-JKSHRDEXSA-M
Catalogue number
GB62196
Brand
GLPBIO
Computed properties PubChem CID 23707568 · TPSA 95.5 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
95.5 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
31

SMILES CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Na+]

Computed descriptors from PubChem (CID 23707568), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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