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920323-95-1 | L-Alanine, N-[(4-methylphenyl)sulfonyl]glycyl-
CAS No: 920323-95-1 Catalog No: AG0061KO MDL No:
Product Description
Catalog Number:
AG0061KO
Chemical Name:
L-Alanine, N-[(4-methylphenyl)sulfonyl]glycyl-
CAS Number:
920323-95-1
Molecular Formula:
C12H16N2O5S
Molecular Weight:
300.3308
IUPAC Name:
(2S)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]propanoic acid
InChI:
InChI=1S/C12H16N2O5S/c1-8-3-5-10(6-4-8)20(18,19)13-7-11(15)14-9(2)12(16)17/h3-6,9,13H,7H2,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChI Key:
JQLYIDJKMMOPPF-VIFPVBQESA-N
SMILES:
C[C@@H](C(=O)O)NC(=O)CNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.329g/mol
Monoisotopic Mass:
300.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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