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138460-25-0

138460-25-0 | Glycine, N-[[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylene]-

CAS No: 138460-25-0 Catalog No: AG001984 MDL No:

Product Description

Catalog Number:
AG001984
Chemical Name:
Glycine, N-[[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylene]-
CAS Number:
138460-25-0
Molecular Formula:
C23H20N4O2
Molecular Weight:
384.4305
IUPAC Name:
2-[[(benzhydrylamino)-(4-cyanoanilino)methylidene]amino]acetic acid
InChI:
InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
InChI Key:
KGHMYJFHUHFOGL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)NC(=NCC(=O)O)NC(c1ccccc1)c1ccccc1

Properties

Complexity:
573  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.159g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
384.439g/mol
Monoisotopic Mass:
384.159g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Literature

Title Journal
Taste responses to sweet stimuli in alpha-gustducin knockout and wild-type mice. Chemical senses 20060701
Cocrystal structures of NC6.8 Fab identify key interactions for high potency sweetener recognition: implications for the design of synthetic sweeteners. Biochemistry 20050726
The three-dimensional structure of a complex of a murine Fab (NC10. 14) with a potent sweetener (NC174): an illustration of structural diversity in antigen recognition by immunoglobulins. Journal of molecular biology 20000929
Local and transmitted conformational changes on complexation of an anti-sweetener Fab. Journal of molecular biology 19940211

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