Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : W8Z    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C19H18N2O6/c1-26-10-27-15-9-12-5-3-2-4-11(12)8-13(15)6-7-14-16(18(23)24)20-19(25)21-17(14)22/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)(H2,20,21,22,25)
2 InChIKey InChI 1.03 UIWLSMYBMFEGSE-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OCOC
4 SMILES CACTVS 3.370 COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O
5 SMILES OpenEye OEToolkits 1.7.6 COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O
6 Canonical SMILES CACTVS 3.370 COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O