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 : SVD

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C8H16N2O2/c1-8(2,3)6-5-7(11)9(4)10(6)12/h6,12H,5H2,1-4H3/t6-/m1/s1
2	InChIKey	InChI	1.03	WSOJYUWEGFKKBH-ZCFIWIBFSA-N
3	SMILES	CACTVS	3.385	CN1N(O)[CH](CC1=O)C(C)(C)C
4	SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)C1CC(=O)N(N1O)C
5	Canonical SMILES	CACTVS	3.385	CN1N(O)[C@H](CC1=O)C(C)(C)C
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)[C@H]1CC(=O)N(N1O)C