Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0VZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H11N3O4S2/c1-2-13-5(10)4-3-14-6(8-4)9-15(7,11)12/h4H,2-3H2,1H3,(H,8,9)(H2,7,11,12)/t4-/m0/s1
2 InChIKey InChI 1.03 JQTAIDJUEICDHW-BYPYZUCNSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(/N=C1\SCC(C(=O)OCC)N1)N
4 SMILES CACTVS 3.370 CCOC(=O)[CH]1CSC(N1)=N[S](N)(=O)=O
5 SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)C1CSC(=NS(=O)(=O)N)N1
6 Canonical SMILES CACTVS 3.370 CCOC(=O)[C@@H]1CSC(N1)=N[S](N)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CCOC(=O)[C@@H]1CS/C(=N\S(=O)(=O)N)/N1