Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : KT6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C9H9Cl2NO2S/c10-6-3-5(8(15)4-7(6)11)9(14)12-1-2-13/h3-4,13,15H,1-2H2,(H,12,14)
2 InChIKey InChI 1.06 QAWZKMJXXMSMKK-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OCCNC(=O)c1cc(Cl)c(Cl)cc1S
4 SMILES OpenEye OEToolkits 2.0.7 c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO
5 Canonical SMILES CACTVS 3.385 OCCNC(=O)c1cc(Cl)c(Cl)cc1S
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO