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 : L70

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C19H28Cl2N4O2S2/c1-24(2)7-9-29-28-8-5-23-18(26)13-4-3-6-25(12-13)19(27)15-10-14(20)11-16(21)17(15)22/h10-11,13H,3-9,12,22H2,1-2H3,(H,23,26)/t13-/m0/s1
2	InChIKey	InChI	1.06	CPSPVIZMUGBZBR-ZDUSSCGKSA-N
3	SMILES	CACTVS	3.385	CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
4	SMILES	OpenEye OEToolkits	3.1.0.0	CN(C)CCSSCCNC(=O)C1CCCN(C1)C(=O)c2cc(cc(c2N)Cl)Cl
5	Canonical SMILES	CACTVS	3.385	CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N
6	Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc(cc(c2N)Cl)Cl