Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : F4U    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1
2 InChIKey InChI 1.03 LJBQRRQTZUJWRC-VIFPVBQESA-N
3 SMILES CACTVS 3.385 Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1
4 SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O
5 Canonical SMILES CACTVS 3.385 Oc1ccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c2c1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O