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1449133-74-7 | ((2,5-Dimethylphenyl)sulfonyl)phenylalanine
CAS No: 1449133-74-7 Catalog No: AG01FN1G MDL No:MFCD05148229
Product Description
Catalog Number:
AG01FN1G
Chemical Name:
((2,5-Dimethylphenyl)sulfonyl)phenylalanine
CAS Number:
1449133-74-7
Molecular Formula:
C17H19NO4S
Molecular Weight:
333.4021
MDL Number:
MFCD05148229
IUPAC Name:
2-[(2,5-dimethylphenyl)sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C17H19NO4S/c1-12-8-9-13(2)16(10-12)23(21,22)18-15(17(19)20)11-14-6-4-3-5-7-14/h3-10,15,18H,11H2,1-2H3,(H,19,20)
InChI Key:
NNJFSJIEQPWNBB-UHFFFAOYSA-N
SMILES:
OC(=O)C(NS(=O)(=O)c1cc(C)ccc1C)Cc1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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