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854370-82-4 | D-Valine, N-[[4'-(2-benzofuranylmethoxy)[1,1'-biphenyl]-4-yl]sulfonyl]-
CAS No: 854370-82-4 Catalog No: AG004SWI MDL No:
Product Description
Catalog Number:
AG004SWI
Chemical Name:
D-Valine, N-[[4'-(2-benzofuranylmethoxy)[1,1'-biphenyl]-4-yl]sulfonyl]-
CAS Number:
854370-82-4
Molecular Formula:
C26H25NO6S
Molecular Weight:
479.5448
IUPAC Name:
(2R)-2-[[4-[4-(1-benzofuran-2-ylmethoxy)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
InChI:
InChI=1S/C26H25NO6S/c1-17(2)25(26(28)29)27-34(30,31)23-13-9-19(10-14-23)18-7-11-21(12-8-18)32-16-22-15-20-5-3-4-6-24(20)33-22/h3-15,17,25,27H,16H2,1-2H3,(H,28,29)/t25-/m1/s1
InChI Key:
GGDIRYKGQAHGGN-RUZDIDTESA-N
SMILES:
CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)OCc1cc2c(o1)cccc2)C
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
479.14g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
479.547g/mol
Monoisotopic Mass:
479.14g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of biphenylsulfonamide carboxylate aggrecanase-1 inhibitors. | Bioorganic & medicinal chemistry letters 20060115 |
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