Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GFW    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C18H24N2O4S2/c1-4-24-18(21)11-17-20-16(12-25-17)14-5-7-15(8-6-14)26(22,23)19-10-9-13(2)3/h5-8,12-13,19H,4,9-11H2,1-3H3
2 InChIKey InChI 1.03 BNWOHTVYARXZJA-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C
4 SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C
5 Canonical SMILES CACTVS 3.385 CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(C)C
6 Canonical SMILES OpenEye OEToolkits 2.0.6 CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C