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20531-36-6

20531-36-6 | L-Glutamic acid, N-(phenylsulfonyl)-

CAS No: 20531-36-6 Catalog No: AG0029ZY MDL No:MFCD00067426

Product Description

Catalog Number:
AG0029ZY
Chemical Name:
L-Glutamic acid, N-(phenylsulfonyl)-
CAS Number:
20531-36-6
Molecular Formula:
C11H13NO6S
Molecular Weight:
287.2890
MDL Number:
MFCD00067426
IUPAC Name:
(2S)-2-(benzenesulfonamido)pentanedioic acid
InChI:
InChI=1S/C11H13NO6S/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChI Key:
PJLOGZZDKDUMFU-VIFPVBQESA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccccc1)CCC(=O)O

Properties

Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
287.046g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
287.286g/mol
Monoisotopic Mass:
287.046g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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

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