Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : WGP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
2 InChIKey InChI 1.03 MLCBUWNEWJFXJX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 N(CC(N(C)C)=O)c1ccccc1
4 SMILES CACTVS 3.385 CN(C)C(=O)CNc1ccccc1
5 SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)CNc1ccccc1
6 Canonical SMILES CACTVS 3.385 CN(C)C(=O)CNc1ccccc1
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)C(=O)CNc1ccccc1