Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : L6V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H20N2O3S2/c20-12-15-4-6-16(7-5-15)14-26(23,24)21-18(22)19(9-2-1-3-10-19)17-8-11-25-13-17/h4-8,11,13H,1-3,9-10,14H2,(H,21,22)
2 InChIKey InChI 1.03 KAEXAGMLFGNNER-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c1cc(ccc1CS(NC(C2(CCCCC2)c3ccsc3)=O)(=O)=O)C#N
4 SMILES CACTVS 3.385 O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3
5 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N
6 Canonical SMILES CACTVS 3.385 O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C2(CCCCC2)c3cscc3
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccsc3)C#N