Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1GO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)
2 InChIKey InChI 1.03 KROUVPYNINHEBZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(c1nnc(s1)NC(=O)Cc2sccc2)N
4 SMILES CACTVS 3.370 N[S](=O)(=O)c1sc(NC(=O)Cc2sccc2)nn1
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N
6 Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1sc(NC(=O)Cc2sccc2)nn1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N