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101585-37-9 | β-Alanine, N-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-
CAS No: 101585-37-9 Catalog No: AG0004WY MDL No:MFCD00553041
Product Description
Catalog Number:
AG0004WY
Chemical Name:
β-Alanine, N-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-
CAS Number:
101585-37-9
Molecular Formula:
C17H19NO4S
Molecular Weight:
333.4021
MDL Number:
MFCD00553041
IUPAC Name:
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
InChI:
InChI=1S/C17H19NO4S/c1-13-3-7-15(8-4-13)18(12-11-17(19)20)23(21,22)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,20)
InChI Key:
CTLWAQRJLXJDLC-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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