Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FHK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C21H14N2O6S/c24-19-17-3-1-2-4-18(17)20(25)23(19)15-9-11-16(12-10-15)30(28,29)22-14-7-5-13(6-8-14)21(26)27/h1-12,22H,(H,26,27)
2 InChIKey InChI 1.03 KCHARURJHJMOQX-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O