Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KZK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C23H27N3O4S/c1-30-22-11-10-18(31(28,29)26-12-6-2-3-7-13-26)15-21(22)25-23(27)14-17-16-24-20-9-5-4-8-19(17)20/h4-5,8-11,15-16,24H,2-3,6-7,12-14H2,1H3,(H,25,27)
2 InChIKey InChI 1.03 WUSKETSOXMZDPT-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc(cc1NC(=O)Cc2c[nH]c3ccccc23)[S](=O)(=O)N4CCCCCC4
4 SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4
5 Canonical SMILES CACTVS 3.385 COc1ccc(cc1NC(=O)Cc2c[nH]c3ccccc23)[S](=O)(=O)N4CCCCCC4
6 Canonical SMILES OpenEye OEToolkits 2.0.7 COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4