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1449133-06-5 | ((4'-Chloro-[1,1'-biphenyl]-4-yl)sulfonyl)phenylalanine
CAS No: 1449133-06-5 Catalog No: AG01FN1F MDL No:MFCD07433717
Product Description
Catalog Number:
AG01FN1F
Chemical Name:
((4'-Chloro-[1,1'-biphenyl]-4-yl)sulfonyl)phenylalanine
CAS Number:
1449133-06-5
Molecular Formula:
C21H18ClNO4S
Molecular Weight:
415.8899
MDL Number:
MFCD07433717
IUPAC Name:
2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C21H18ClNO4S/c22-18-10-6-16(7-11-18)17-8-12-19(13-9-17)28(26,27)23-20(21(24)25)14-15-4-2-1-3-5-15/h1-13,20,23H,14H2,(H,24,25)
InChI Key:
TXFOUFDGVNFIGH-UHFFFAOYSA-N
SMILES:
OC(=O)C(NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)Cl)Cc1ccccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.065g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.888g/mol
Monoisotopic Mass:
415.065g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Protease inhibitors: synthesis of matrix metalloproteinase and bacterial collagenase inhibitors incorporating 5-amino-2-mercapto-1,3,4-thiadiazole zinc binding functions. | Bioorganic & medicinal chemistry letters 20021007 |
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