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 : OH4

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1
2	InChIKey	InChI	1.03	CXHFIZNFHVDWKU-ZDUSSCGKSA-N
3	SMILES	ACDLabs	12.01	n2c(CCC(c1ccccc1)OC)nc(c2)CO
4	SMILES	CACTVS	3.385	CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2
5	SMILES	OpenEye OEToolkits	2.0.7	COC(CCc1[nH]cc(n1)CO)c2ccccc2
6	Canonical SMILES	CACTVS	3.385	CO[C@@H](CCc1[nH]cc(CO)n1)c2ccccc2
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2