Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : R6T    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
2 InChIKey InChI 1.03 PRROCNFTWSJBTJ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(c2cccc3C(=O)c1ccccc1c23)N
4 SMILES CACTVS 3.385 NC(=O)c1cccc2C(=O)c3ccccc3c12
5 SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O
6 Canonical SMILES CACTVS 3.385 NC(=O)c1cccc2C(=O)c3ccccc3c12
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O