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1009595-18-9 | Valine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]-
CAS No: 1009595-18-9 Catalog No: AG0003BA MDL No:MFCD05148303
Product Description
Catalog Number:
AG0003BA
Chemical Name:
Valine, N-[(2,3,5,6-tetramethylphenyl)sulfonyl]-
CAS Number:
1009595-18-9
Molecular Formula:
C15H23NO4S
Molecular Weight:
313.4124
MDL Number:
MFCD05148303
IUPAC Name:
3-methyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
InChI:
InChI=1S/C15H23NO4S/c1-8(2)13(15(17)18)16-21(19,20)14-11(5)9(3)7-10(4)12(14)6/h7-8,13,16H,1-6H3,(H,17,18)
InChI Key:
FSSJWNVCOOWYHL-UHFFFAOYSA-N
SMILES:
CC([C@@H](C(=O)O)NS(=O)(=O)c1c(C)c(C)cc(c1C)C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.412g/mol
Monoisotopic Mass:
313.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 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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