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 : 1UJ

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14)
2	InChIKey	InChI	1.03	SJYCCQFFJCNNSS-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C(OC)c1ccc2nc(sc2c1)NC(=O)C
4	SMILES	CACTVS	3.370	COC(=O)c1ccc2nc(NC(C)=O)sc2c1
5	SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC
6	Canonical SMILES	CACTVS	3.370	COC(=O)c1ccc2nc(NC(C)=O)sc2c1
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC