Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PFD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26)
2 InChIKey InChI 1.03 XRSYNYGEEYTXJV-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)cc2)CCOCC
4 SMILES CACTVS 3.341 CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O
5 SMILES OpenEye OEToolkits 1.5.0 CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F
6 Canonical SMILES CACTVS 3.341 CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F