Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FYK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H12ClNO5/c14-8-5-9-11(6-10(8)19-7-1-2-7)20-13(18)15(9)4-3-12(16)17/h5-7H,1-4H2,(H,16,17)
2 InChIKey InChI 1.03 AYXQPTCYJAJHBG-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
4 SMILES OpenEye OEToolkits 2.0.6 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O