Compound: Sacubitril
SMILES: O=C(OCC)[C@@H](C[C@H](NC(=O)CCC(=O)O)Cc1ccc(-c2ccccc2)cc1)C
InChIKey: PYNXFZCZUAOOQC-UTKZUKDTSA-N
Synonyms: Sacubitril, 149709-62-6, AHU-377, AHU377, sucabitril, AHU 377, Sacubitrilo, 17ERJ0MKGI, 4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid, DTXSID20164370, ENTRESTO COMPONENT SACUBITRIL, (2R,4S)-5-(biphenyl-4-yl)-4-((3-carboxypropionyl)amino)-2-methylpentanoic acid ethyl ester, 3-{[(2S,4R)-1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl}propanoic acid, sacubitrilum, 3-(((2S,4R)-1-((1,1'-biphenyl)-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)carbamoyl)propanoic acid, 4-(((2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl)amino)-4-oxobutanoic acid, RefChem:884341, DTXCID3086861, 810-278-2, 4-(((2S,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid, MFCD00920862, [1,1'-Biphenyl]-4-pentanoic acid, gamma-[(3-carboxy-1-oxopropyl)amino]-alpha-methyl-, alpha-ethyl ester, (alphaR,gammaS)-, Sacubitril [USAN:INN], UNII-17ERJ0MKGI, Neparvis, 4-{[(2S,4R)-1-([1,1'-Biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl]amino}-4-oxobutanoic acid, SACUBITRIL [MI], SACUBITRIL [INN], SACUBITRIL [JAN], SACUBITRIL [USAN], LCZ-696 Impurity 3, SACUBITRIL [WHO-DD], Sacubitril (JAN/USAN/INN), GTPL7857, orb1302745, Sacubitril - Bio-X trade mark, SCHEMBL2707112, CHEMBL3137301, SACUBITRIL [ORANGE BOOK], CHEBI:134714, PYNXFZCZUAOOQC-UTKZUKDTSA-N, GLXC-04735, EBC-26994, MSK160284, AKOS027321509, DB09292, FB71505, NCGC00387800-02, 4-(((2S,4R)-1-([1,1-biphenyl]-4-yl)-5-ethoxy-4-Methyl-5-oxopentan-2-yl)aMino)-4-oxobutanoic acid, AC-28899, AS-16703, FS183789, HY-15407, SY116093, NS00069205, D10225, EN300-303419, F869342, BRD-K91456750-001-01-9, BRD-K91456750-238-01-7, Q17811448, (2R,4S)-5-biphenyl-4-yl-4-(3-carboxy-propionylamino)-2-methyl-pentanoic acid ethyl ester, (2R,4S)-5-Biphenyl-4-yl-4-(3-carboxypropionylamino)-2-methylpentanoic acid ethyl ester, 4-[[(2S,4R)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentyl]amino]-4-oxobutanoic Acid, [1,1'-Biphenyl]-4-pentanoic acid, -[(3-carboxy-1-oxopropyl)amino]-alpha-methyl-, alpha-ethyl ester, (alphaR,S)-, [1,1'-Biphenyl]-4-pentanoic acid, |A-[(3-carboxy-1-oxopropyl)amino]-|A-methyl-, |A-ethyl ester, (|AR,|AS)-, 3-{[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl}propanoic acid, 4-(((2S,4R)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoicacid, 4-[[(1S,3R)-4-ethoxy-3-methyl-4-oxo-1-[(4-phenylphenyl)methyl]butyl]amino]-4-oxo-butanoic acid
Theoretical properties:
molecular_formula: C24H29NO5
molecular_weight: 411.5 g/mol
exact_mass: 411.20457303 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 12
heavy_atom_count: 30
topological_polar_surface_area: 92.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Sacubitril is a member of biphenyls.
chembl: SACUBITRIL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Sacubitril (; INN) is an antihypertensive drug used in combination with valsartan. The combination drug sacubitril/valsartan, known during trials as LCZ696 and marketed under the brand name Entresto, is a treatment for heart failure. It was approved under the FDA's priority review process for use in heart failure on July 7, 2015.