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 : XOC

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)
2	InChIKey	InChI	1.03	ALVVXSSFOOYRDP-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24
4	SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4
5	Canonical SMILES	CACTVS	3.385	O=C(CN1CCCCC1)NN2c3ccccc3Sc4ccccc24
6	Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4