CUP

(N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II)

Created:	2007-02-13
Last modified:	2023-09-23

Find Related PDB Entry
1 entries where CUP 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	34
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	12

2D diagram of CUP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II)
Systematic Name (OpenEye OEToolkits)	(6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one
Formula	C₁₆ H₁₃ Cu N O₃
Molecular Weight	330.825
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC2C(=O)O[Cu]3[N]2=Cc4ccccc4O3
Canonical SMILES	CACTVS	3.385	O=C1O[Cu]Oc2ccccc2C=N[C@H]1Cc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[C@H]2C(=O)O[Cu]3[N]2=Cc4ccccc4O3
InChI	InChI	1.06	InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12;/h1-9,11,14,18H,10H2,(H,19,20);/q;+2/p-2/b17-11+;/t14-;/m0./s1
InChIKey	InChI	1.06	YEXSLHMEGKWMMU-VNKRLIBXSA-L

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.