Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KVT    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H28N4O5S/c1-14-8-9-15(12-16(14)30(28,29)23-10-6-4-5-7-11-23)21-17(25)13-24-18(26)20(2,3)22-19(24)27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,25)(H,22,27)
2 InChIKey InChI 1.03 ZHCSIBLDPZYQBH-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[S](=O)(=O)N3CCCCCC3
4 SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C
5 Canonical SMILES CACTVS 3.385 Cc1ccc(NC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[S](=O)(=O)N3CCCCCC3
6 Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C