Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PAW    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
2 InChIKey InChI 1.03 FAGUFWYHJQFNRV-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 NCCNCCNCCNCCN
4 SMILES CACTVS 3.341 NCCNCCNCCNCCN
5 SMILES OpenEye OEToolkits 1.5.0 C(CNCCNCCNCCN)N
6 Canonical SMILES CACTVS 3.341 NCCNCCNCCNCCN
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(CNCCNCCNCCN)N