Name: Name:β-Alanine, N-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-
Brand: Angene
SKU: AG0004WY
Rating: 90 (10 reviews)

β-Alanine, N-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-

CAS No.:

101585-37-9

Catalog Number:

AG0004WY

Molecular Formula:

C17H19NO4S

Molecular Weight:

333.4021

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

333.402g/mol

Monoisotopic Mass:

333.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties