Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2ZL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C17H19FN2O4S/c1-12-10-15(8-9-16(12)18)25(23,24)20(13(2)17(21)19-22)11-14-6-4-3-5-7-14/h3-10,13,22H,11H2,1-2H3,(H,19,21)/t13-/m1/s1
2 InChIKey InChI 1.03 ZVJSGLFNUKONDD-CYBMUJFWSA-N
3 SMILES ACDLabs 12.01 Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C)Cc2ccccc2)C
4 SMILES CACTVS 3.385 C[CH](N(Cc1ccccc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
5 SMILES OpenEye OEToolkits 1.9.2 Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)C(C)C(=O)NO
6 Canonical SMILES CACTVS 3.385 C[C@@H](N(Cc1ccccc1)[S](=O)(=O)c2ccc(F)c(C)c2)C(=O)NO
7 Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO