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869651-63-8

869651-63-8 | L-Leucine, N-(1,1-dioxido-1,2-benzisothiazol-3-yl)-

CAS No: 869651-63-8 Catalog No: AG004HLI MDL No:

Product Description

Catalog Number:
AG004HLI
Chemical Name:
L-Leucine, N-(1,1-dioxido-1,2-benzisothiazol-3-yl)-
CAS Number:
869651-63-8
Molecular Formula:
C13H16N2O4S
Molecular Weight:
296.3421
IUPAC Name:
(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-4-methylpentanoic acid
InChI:
InChI=1S/C13H16N2O4S/c1-8(2)7-10(13(16)17)14-12-9-5-3-4-6-11(9)20(18,19)15-12/h3-6,8,10H,7H2,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChI Key:
XUDKGIYXQYIDSV-JTQLQIEISA-N
SMILES:
CC(C[C@@H](C(=O)O)NC1=NS(=O)(=O)c2c1cccc2)C

Properties

Complexity:
507  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
296.341g/mol
Monoisotopic Mass:
296.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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