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1102899-58-0 | (m-tolylsulfonyl)leucine
CAS No: 1102899-58-0 Catalog No: AG01FN3C MDL No:MFCD07433682
Product Description
Catalog Number:
AG01FN3C
Chemical Name:
(m-tolylsulfonyl)leucine
CAS Number:
1102899-58-0
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
MDL Number:
MFCD07433682
IUPAC Name:
4-methyl-2-[(3-methylphenyl)sulfonylamino]pentanoic acid
InChI:
InChI=1S/C13H19NO4S/c1-9(2)7-12(13(15)16)14-19(17,18)11-6-4-5-10(3)8-11/h4-6,8-9,12,14H,7H2,1-3H3,(H,15,16)
InChI Key:
NHBVUJXATNLPMN-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)O)NS(=O)(=O)c1cccc(c1)C)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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