Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UVN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)
2 InChIKey InChI 1.03 AGWGMFBDKFNHRP-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2
4 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2
5 Canonical SMILES CACTVS 3.385 O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2