SNF

(N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt

Created:	2013-06-12
Last modified:	2014-05-28

Find Related PDB Entry
1 entries where SNF is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

2D diagram of SNF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₅ H₁₆ N₄ Ni
Molecular Weight	311.008
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5
SMILES	CACTVS	3.385	[Ni]\|1\|2\|3\|N(=Cc4ccccn\|14)C[CH](C)N\|2=Cc5ccccn\|35
SMILES	OpenEye OEToolkits	1.7.6	CC1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3
Canonical SMILES	CACTVS	3.385	[Ni]\|1\|2\|3\|N(=Cc4ccccn\|14)C[C@@H](C)N\|2=Cc5ccccn\|35
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3
InChI	InChI	1.03	InChI=1S/C15H16N4.Ni/c1-13(19-12-15-7-3-5-9-18-15)10-16-11-14-6-2-4-8-17-14;/h2-9,11-13H,10H2,1H3;/b16-11+,19-12+;/t13-;/m1./s1
InChIKey	InChI	1.03	YWFIBUKMYHZULK-UBTITEMDSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.