Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KTM    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H12N2O3/c18-12-7-2-1-4-9(12)8-16-11-6-3-5-10-13(11)15(20)17-14(10)19/h1-7,16,18H,8H2,(H,17,19,20)
2 InChIKey InChI 1.03 LGIZVMOUWUZRKO-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O
4 SMILES CACTVS 3.385 Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23
5 SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O
6 Canonical SMILES CACTVS 3.385 Oc1ccccc1CNc2cccc3C(=O)NC(=O)c23
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O