Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 9AH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3
2 InChIKey InChI 1.03 FLJPZKPNJVGMHO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCCN(CCC)CCCC#N
4 SMILES OpenEye OEToolkits 2.0.6 CCCN(CCC)CCCC#N
5 Canonical SMILES CACTVS 3.385 CCCN(CCC)CCCC#N
6 Canonical SMILES OpenEye OEToolkits 2.0.6 CCCN(CCC)CCCC#N