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Home Other Building Blocks 3-{[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl}propanoic acid

3-{[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl}propanoic acid

CAS No.:
149709-62-6
Catalog Number:
AG001LYG
Molecular Formula:
C24H29NO5
Molecular Weight:
411.4908
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$157
- +
10mg
99%
1 week
United States
$190
- +
50mg
99%
1 week
United States
$307
- +
100mg
99%
1 week
United States
$473
- +
Product Description
Catalog Number:
AG001LYG
Chemical Name:
3-{[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]carbamoyl}propanoic acid
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
Properties