Name: Name:(S)-2-(4-Methylphenylsulfonamido)pentanedioic acid
Brand: Angene
SKU: AG006WYV
Rating: 90 (10 reviews)

(S)-2-(4-Methylphenylsulfonamido)pentanedioic acid

CAS No.:

4816-80-2

Catalog Number:

AG006WYV

Molecular Formula:

C12H15NO6S

Molecular Weight:

301.3156

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Product Description

Catalog Number:

AG006WYV

Chemical Name:

(S)-2-(4-Methylphenylsulfonamido)pentanedioic acid

CAS Number:

4816-80-2

Molecular Formula:

C12H15NO6S

Molecular Weight:

301.3156

MDL Number:

MFCD00020545

IUPAC Name:

(2S)-2-[(4-methylphenyl)sulfonylamino]pentanedioic acid

InChI:

InChI=1S/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1

InChI Key:

KKOZKXBAPIYWAT-JTQLQIEISA-N

SMILES:

OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)CCC(=O)O

EC Number:

225-390-1

Properties

Complexity:

447

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.313g/mol

Monoisotopic Mass:

301.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Synthesis and evaluation of L-glutamic Acid analogs as potential anticancer agents.	Indian journal of pharmaceutical sciences 20080101
The hydrogen-bonding network in (+)-N-tosyl-L-glutamic acid.	Acta crystallographica. Section C, Crystal structure communications 20050301
Enantioselective chromenone benzoxazole receptor for glutamic acid and its derivatives.	The Journal of organic chemistry 20030919

Properties