Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VES    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
2 InChIKey InChI 1.03 RWRDLPDLKQPQOW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 N1CCCC1
4 SMILES CACTVS 3.385 C1CCNC1
5 SMILES OpenEye OEToolkits 1.9.2 C1CCNC1
6 Canonical SMILES CACTVS 3.385 C1CCNC1
7 Canonical SMILES OpenEye OEToolkits 1.9.2 C1CCNC1