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Valifenalate

CAS No.:
283159-90-0
Catalog Number:
AG00BF55
Molecular Formula:
C19H27ClN2O5
Molecular Weight:
398.8811
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$126
- +
25mg
98%
1 week
United States
$196
- +
50mg
98%
1 week
United States
$293
- +
Product Description
Catalog Number:
AG00BF55
Chemical Name:
Valifenalate
CAS Number:
283159-90-0
Molecular Formula:
C19H27ClN2O5
Molecular Weight:
398.8811
MDL Number:
MFCD22373630
IUPAC Name:
methyl 3-(4-chlorophenyl)-3-[[(2S)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoyl]amino]propanoate
InChI:
InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
InChI Key:
DBXFMOWZRXXBRN-LWKPJOBUSA-N
SMILES:
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C
EC Number:
608-192-3
Properties
Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
398.161g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
398.884g/mol
Monoisotopic Mass:
398.161g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties