Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : V8W    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 SMILES CACTVS 3.370 N[CH](O)[CH]1CCCN1
2 SMILES OpenEye OEToolkits 1.7.6 C1CC(NC1)C(N)O
3 Canonical SMILES CACTVS 3.370 N[C@H](O)[C@@H]1CCCN1
4 Canonical SMILES OpenEye OEToolkits 1.7.6 C1C[C@H](NC1)[C@H](N)O