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105109-01-1

105109-01-1 | 4-Diphenylacetylamino-butyric acid

CAS No: 105109-01-1 Catalog No: AG01FE1G MDL No:

Product Description

Catalog Number:
AG01FE1G
Chemical Name:
4-Diphenylacetylamino-butyric acid
CAS Number:
105109-01-1
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
4-[(2,2-diphenylacetyl)amino]butanoic acid
InChI:
InChI=1S/C18H19NO3/c20-16(21)12-7-13-19-18(22)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17H,7,12-13H2,(H,19,22)(H,20,21)
InChI Key:
ZCAQCTMNYGNISF-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)c1ccccc1)NCCCC(=O)O

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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

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