Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SAR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
2 InChIKey InChI 1.03 FSYKKLYZXJSNPZ-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)CNC
4 SMILES CACTVS 3.370 CNCC(O)=O
5 SMILES OpenEye OEToolkits 1.7.0 CNCC(=O)O
6 Canonical SMILES CACTVS 3.370 CNCC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CNCC(=O)O