Sacubitril
4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
Molecular Identity
Sacubitril
4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
PubChem CID: 9811834
Sacubitril is a member of biphenyls.
2D Structure
Properties
C24H29NO5
Molecular Formula
411.50
Molecular Weight
g/mol
411.2046
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
92.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
550
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)OIsomeric SMILES
SMILES: CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)OSynonyms(20)
Sacubitril149709-62-6AHU-377AHU377sucabitrilAHU 377Sacubitrilo17ERJ0MKGI4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acidDTXSID20164370ENTRESTO COMPONENT SACUBITRIL(2R,4S)-5-(biphenyl-4-yl)-4-((3-carboxypropionyl)amino)-2-methylpentanoic acid ethyl ester3-{[(2S,4R)-1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl}propanoic acidsacubitrilum3-(((2S,4R)-1-((1,1'-biphenyl)-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)carbamoyl)propanoic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sacubitril
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