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Home Sulfos 2-{[4-(4-acetamido-3-methoxybenzenesulfonamido)phenyl]formamido}acetic acid

2-{[4-(4-acetamido-3-methoxybenzenesulfonamido)phenyl]formamido}acetic acid

CAS No.:
796123-90-5
Catalog Number:
AG019NSV
Molecular Formula:
C18H19N3O7S
Molecular Weight:
421.4244
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Product Description
Catalog Number:
AG019NSV
Chemical Name:
2-{[4-(4-acetamido-3-methoxybenzenesulfonamido)phenyl]formamido}acetic acid
CAS Number:
796123-90-5
Molecular Formula:
C18H19N3O7S
Molecular Weight:
421.4244
IUPAC Name:
2-[[4-[(4-acetamido-3-methoxyphenyl)sulfonylamino]benzoyl]amino]acetic acid
InChI:
InChI=1S/C18H19N3O7S/c1-11(22)20-15-8-7-14(9-16(15)28-2)29(26,27)21-13-5-3-12(4-6-13)18(25)19-10-17(23)24/h3-9,21H,10H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChI Key:
UTTWAAIDJYXBQR-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)C)S(=O)(=O)Nc1ccc(cc1)C(=O)NCC(=O)O
Properties
Complexity:
699  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.094g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
421.424g/mol
Monoisotopic Mass:
421.094g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
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
Properties