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854370-83-5 | D-Valine, N-[[4'-(2-naphthalenylmethoxy)[1,1'-biphenyl]-4-yl]sulfonyl]-
CAS No: 854370-83-5 Catalog No: AG004SWH MDL No:
Product Description
Catalog Number:
AG004SWH
Chemical Name:
D-Valine, N-[[4'-(2-naphthalenylmethoxy)[1,1'-biphenyl]-4-yl]sulfonyl]-
CAS Number:
854370-83-5
Molecular Formula:
C28H27NO5S
Molecular Weight:
489.5827
IUPAC Name:
(2R)-3-methyl-2-[[4-[4-(naphthalen-2-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoic acid
InChI:
InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)26-15-11-23(12-16-26)22-9-13-25(14-10-22)34-18-20-7-8-21-5-3-4-6-24(21)17-20/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1
InChI Key:
RIJMYCAFDDBRHW-HHHXNRCGSA-N
SMILES:
CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)OCc1ccc2c(c1)cccc2)C
Properties
Complexity:
778
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
489.161g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
489.586g/mol
Monoisotopic Mass:
489.161g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Continued exploration of biphenylsulfonamide scaffold as a platform for aggrecanase-1 inhibition. | Bioorganic & medicinal chemistry letters 20111115 |
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