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Home Other Building Blocks ALANINE, N-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]-

ALANINE, N-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]-

CAS No.:
1009671-00-4
Catalog Number:
AG00902O
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
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Product Description
Catalog Number:
AG00902O
Chemical Name:
ALANINE, N-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]-
CAS Number:
1009671-00-4
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
MDL Number:
MFCD02361178
IUPAC Name:
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C13H19NO4S/c1-7-6-8(2)10(4)12(9(7)3)19(17,18)14-11(5)13(15)16/h6,11,14H,1-5H3,(H,15,16)
InChI Key:
SVNVDQLSTLUUOY-UHFFFAOYSA-N
SMILES:
OC(=O)C(NS(=O)(=O)c1c(C)c(C)cc(c1C)C)C
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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
Properties