Sacubitril valsartan
4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Molecular Identity
Sacubitril valsartan
4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid;(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
PubChem CID: 24755620
2D Structure
Properties
C48H58N6O8
Molecular Formula
847.00
Molecular Weight
g/mol
846.4316
Exact Mass
Da
205
TPSA
May have limited oral absorption
4
H-Bond Donors
11
H-Bond Acceptors
1160
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O.CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)OIsomeric SMILES
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O.CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)OSynonyms(11)
SACUBITRIL VALSARTANLCZ-696 FREE ACID688RNR55GH1360873-85-3RefChem:1098290CHEMBL5315276SCHEMBL19328637AKOS037654006KS-5383BRD-M31057929-001-01-2L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, compd. with alpha-ethyl (alphaR,gammaS)-gamma-[(3-carboxy-1-oxopropyl)amino]-alpha-methyl[1,1'-biphenyl]-4-pentanoate (1:1)
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Sacubitril valsartan
Loading drug network...