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 : 85F

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
2	InChIKey	InChI	1.03	DWPCPZJAHOETAG-IMJSIDKUSA-N
3	SMILES	CACTVS	3.385	N[CH](CSC[CH](N)C(O)=O)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.6	C(C(C(=O)O)N)SCC(C(=O)O)N
5	Canonical SMILES	CACTVS	3.385	N[C@@H](CSC[C@H](N)C(O)=O)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.6	C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N