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333415-72-8 | 4-(4-Oxo-4-phenyl-butyrylamino)-benzoic acid
CAS No: 333415-72-8 Catalog No: AG01FARS MDL No:
Product Description
Catalog Number:
AG01FARS
Chemical Name:
4-(4-Oxo-4-phenyl-butyrylamino)-benzoic acid
CAS Number:
333415-72-8
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
IUPAC Name:
4-[(4-oxo-4-phenylbutanoyl)amino]benzoic acid
InChI:
InChI=1S/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChI Key:
QDZIGIDRPFIIAJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C(=O)O)CCC(=O)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A. | Analytical chemistry 20061215 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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