Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LJJ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H17N3O/c1-8-12-13-10(14-8)11-9-6-4-2-3-5-7-9/h9H,2-7H2,1H3,(H,11,13)
2 InChIKey InChI 1.03 BHDKFMDJCREHTJ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2nc(NC1CCCCCC1)oc2C
4 SMILES CACTVS 3.385 Cc1oc(NC2CCCCCC2)nn1
5 SMILES OpenEye OEToolkits 2.0.6 Cc1nnc(o1)NC2CCCCCC2
6 Canonical SMILES CACTVS 3.385 Cc1oc(NC2CCCCCC2)nn1
7 Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1nnc(o1)NC2CCCCCC2