Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UA8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
2 InChIKey InChI 1.03 RBBIAFZDUSBCMN-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)NC2CCCCCC2
4 SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)NC2CCCCCC2
5 Canonical SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)NC2CCCCCC2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)NC2CCCCCC2