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20158-69-4 | Glycine, N-[(4-methylphenyl)sulfonyl]-N-(phenylmethyl)-
CAS No: 20158-69-4 Catalog No: AG002DHX MDL No:MFCD00531206
Product Description
Catalog Number:
AG002DHX
Chemical Name:
Glycine, N-[(4-methylphenyl)sulfonyl]-N-(phenylmethyl)-
CAS Number:
20158-69-4
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
MDL Number:
MFCD00531206
IUPAC Name:
2-[benzyl-(4-methylphenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(20,21)17(12-16(18)19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)
InChI Key:
KVTANZMSACMJTP-UHFFFAOYSA-N
SMILES:
OC(=O)CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1
NSC Number:
163629
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step. | European journal of medicinal chemistry 20120501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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