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15121-91-2 | Propanedioic acid, 2-(acetylamino)-2-(2-oxo-2-phenylethyl)-, 1,3-diethyl ester
CAS No: 15121-91-2 Catalog No: AG001N5W MDL No:
Product Description
Catalog Number:
AG001N5W
Chemical Name:
Propanedioic acid, 2-(acetylamino)-2-(2-oxo-2-phenylethyl)-, 1,3-diethyl ester
CAS Number:
15121-91-2
Molecular Formula:
C17H21NO6
Molecular Weight:
335.3517
IUPAC Name:
diethyl 2-acetamido-2-phenacylpropanedioate
InChI:
InChI=1S/C17H21NO6/c1-4-23-15(21)17(18-12(3)19,16(22)24-5-2)11-14(20)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,18,19)
InChI Key:
VHRKWOLYJLHEFT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(NC(=O)C)CC(=O)c1ccccc1
NSC Number:
33155
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.356g/mol
Monoisotopic Mass:
335.137g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Inhibition of nNOS activity in rat brain by synthetic kynurenines: structure-activity dependence. | Journal of medicinal chemistry 20020117 |
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