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2130-76-9 | (S);-2-Amino-6-(4-methylphenylsulfonamido);hexanoic acid
CAS No: 2130-76-9 Catalog No: AG003SNF MDL No:
Product Description
Catalog Number:
AG003SNF
Chemical Name:
(S);-2-Amino-6-(4-methylphenylsulfonamido);hexanoic acid
CAS Number:
2130-76-9
Molecular Formula:
C13H20N2O4S
Molecular Weight:
300.3739
IUPAC Name:
(2S)-2-amino-6-[(4-methylphenyl)sulfonylamino]hexanoic acid
InChI:
InChI=1S/C13H20N2O4S/c1-10-5-7-11(8-6-10)20(18,19)15-9-3-2-4-12(14)13(16)17/h5-8,12,15H,2-4,9,14H2,1H3,(H,16,17)/t12-/m0/s1
InChI Key:
FRJAAXSHLGSWAP-LBPRGKRZSA-N
SMILES:
N[C@H](C(=O)O)CCCCNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.373g/mol
Monoisotopic Mass:
300.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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