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(2R,4S)-5-([1,1'-Biphenyl]-4-yl)-4-(3-carboxypropanamido)-2-methylpentanoic acid

CAS No.:
149709-44-4
Catalog Number:
AG001LYJ
Molecular Formula:
C22H25NO5
Molecular Weight:
383.4376
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$125
- +
2mg
1 week
United States
$240
- +
5mg
≥98%
1 week
United States
$380
- +
10mg
≥98%
1 week
United States
$636
- +
25mg
≥98%
1 week
United States
$1298
- +
50mg
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG001LYJ
Chemical Name:
(2R,4S)-5-([1,1'-Biphenyl]-4-yl)-4-(3-carboxypropanamido)-2-methylpentanoic acid
CAS Number:
149709-44-4
Molecular Formula:
C22H25NO5
Molecular Weight:
383.4376
MDL Number:
MFCD00921225
IUPAC Name:
(2R,4S)-4-(3-carboxypropanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
InChI:
InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1
InChI Key:
DOBNVUFHFMVMDB-BEFAXECRSA-N
SMILES:
C[C@@H](C(=O)O)C[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)CCC(=O)O
UNII:
SPI5PBF81S
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
383.173g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
383.444g/mol
Monoisotopic Mass:
383.173g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Pharmacokinetics and pharmacodynamics of LCZ696, a novel dual-acting angiotensin receptor-neprilysin inhibitor (ARNi). Journal of clinical pharmacology 20100401
Properties