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160986-43-6 | [1,1'-Biphenyl]-2-carboxylic acid, 2'-[[[4-[(benzoylamino)sulfonyl]phenyl]amino]carbonyl]-
CAS No: 160986-43-6 Catalog No: AG001VK8 MDL No:
Product Description
Catalog Number:
AG001VK8
Chemical Name:
[1,1'-Biphenyl]-2-carboxylic acid, 2'-[[[4-[(benzoylamino)sulfonyl]phenyl]amino]carbonyl]-
CAS Number:
160986-43-6
Molecular Formula:
C27H20N2O6S
Molecular Weight:
500.5225
IUPAC Name:
2-[2-[[4-(benzoylsulfamoyl)phenyl]carbamoyl]phenyl]benzoic acid
InChI:
InChI=1S/C27H20N2O6S/c30-25(18-8-2-1-3-9-18)29-36(34,35)20-16-14-19(15-17-20)28-26(31)23-12-6-4-10-21(23)22-11-5-7-13-24(22)27(32)33/h1-17H,(H,28,31)(H,29,30)(H,32,33)
InChI Key:
YJVZZPMHMCRGJL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1C(=O)O
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.104g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
500.525g/mol
Monoisotopic Mass:
500.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Competitive inhibition of HIV-1 protease by biphenyl carboxylic acids. | Archives of biochemistry and biophysics 19950110 |
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