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149709-62-6 | [1,1'-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, α-ethyl ester, (αR,γS)-
CAS No: 149709-62-6 Catalog No: AG001LYG MDL No:MFCD00920862
Product Description
Catalog Number:
AG001LYG
Chemical Name:
[1,1'-Biphenyl]-4-pentanoic acid, γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl-, α-ethyl ester, (αR,γS)-
CAS Number:
149709-62-6
Molecular Formula:
C24H29NO5
Molecular Weight:
411.4908
MDL Number:
MFCD00920862
IUPAC Name:
4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1
InChI Key:
PYNXFZCZUAOOQC-UTKZUKDTSA-N
SMILES:
CCOC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O)C
UNII:
17ERJ0MKGI
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.498g/mol
Monoisotopic Mass:
411.205g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| The effect of angiotensin receptor neprilysin inhibitor, sacubitril/valsartan, on central nervous system amyloid-β concentrations and clearance in the cynomolgus monkey. | Toxicology and applied pharmacology 20170515 |
| The Role of Neprilysin Inhibitors in Cardiovascular Disease. | Current heart failure reports 20151201 |
| Neprilysin Inhibition in Heart Failure with Reduced Ejection Fraction: A Clinical Review. | Pharmacotherapy 20150901 |
| Angiotensin-neprilysin inhibition versus enalapril in heart failure. | The New England journal of medicine 20140911 |
| The angiotensin receptor neprilysin inhibitor LCZ696 in heart failure with preserved ejection fraction: a phase 2 double-blind randomised controlled trial. | Lancet (London, England) 20121020 |
| [2 promising substances for diastolic heart failure]. | MMW Fortschritte der Medizin 20120910 |
| Metabolic actions could confound advantageous effects of combined angiotensin II receptor and neprilysin inhibition. | Hypertension (Dallas, Tex. : 1979) 20110201 |
| Blood-pressure reduction with LCZ696. | Lancet (London, England) 20100410 |
| Blood-pressure reduction with LCZ696, a novel dual-acting inhibitor of the angiotensin II receptor and neprilysin: a randomised, double-blind, placebo-controlled, active comparator study. | Lancet (London, England) 20100410 |
| Pharmacokinetics and pharmacodynamics of LCZ696, a novel dual-acting angiotensin receptor-neprilysin inhibitor (ARNi). | Journal of clinical pharmacology 20100401 |
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