Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : T34    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C15H16N2O2/c1-11-7-8-13(15(18)17-19)9-14(11)16-10-12-5-3-2-4-6-12/h2-9,16,19H,10H2,1H3,(H,17,18)
2 InChIKey InChI 1.03 PZBARTUEWCQNSN-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Cc1ccc(cc1NCc2ccccc2)C(=O)NO
4 SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1NCc2ccccc2)C(=O)NO
5 Canonical SMILES CACTVS 3.385 Cc1ccc(cc1NCc2ccccc2)C(=O)NO
6 Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1NCc2ccccc2)C(=O)NO