Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MLV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23)
2 InChIKey InChI 1.03 DUTMMJVUYVOSEW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O
4 SMILES CACTVS 3.385 Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3
5 SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3
6 Canonical SMILES CACTVS 3.385 Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3