GT7

2-cyano-~{N}-cyclohexyl-ethanamide

Created:	2018-06-01
Last modified:	2019-04-10

Find Related PDB Entry
2 entries where GT7 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	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of GT7

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-cyano-~{N}-cyclohexyl-ethanamide
Systematic Name (OpenEye OEToolkits)	2-cyano-~{N}-cyclohexyl-ethanamide
Formula	C₉ H₁₄ N₂ O
Molecular Weight	166.22
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(CC#N)NC1CCCCC1
SMILES	OpenEye OEToolkits	2.0.6	C1CCC(CC1)NC(=O)CC#N
Canonical SMILES	CACTVS	3.385	O=C(CC#N)NC1CCCCC1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CCC(CC1)NC(=O)CC#N
InChI	InChI	1.03	InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)
InChIKey	InChI	1.03	RURWLUVLDBYUEN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	706143
CCDC/CSD	ROHXET

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.