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 : VFL

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C11H17NO2/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12/h3-5,10,13H,6-7,12H2,1-2H3/t10-/m1/s1
2	InChIKey	InChI	1.06	MUMARLPGCDVFQA-SNVBAGLBSA-N
3	SMILES	ACDLabs	12.01	NCC(O)COc1ccc(C)cc1C
4	SMILES	CACTVS	3.385	Cc1ccc(OC[CH](O)CN)c(C)c1
5	SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)C)OCC(CN)O
6	Canonical SMILES	CACTVS	3.385	Cc1ccc(OC[C@H](O)CN)c(C)c1
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1)C)OC[C@@H](CN)O