Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : GWV

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
2	InChIKey	InChI	1.03	NZXPKDJRJFKEIC-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CC(C)NCc1ccc(cc1)N(C)C
4	SMILES	OpenEye OEToolkits	2.0.6	CC(C)NCc1ccc(cc1)N(C)C
5	Canonical SMILES	CACTVS	3.385	CC(C)NCc1ccc(cc1)N(C)C
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)NCc1ccc(cc1)N(C)C