Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : F3V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
2 InChIKey InChI 1.03 BCDGQXUMWHRQCB-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 NCC(=O)C
4 SMILES CACTVS 3.385 CC(=O)CN
5 SMILES OpenEye OEToolkits 2.0.6 CC(=O)CN
6 Canonical SMILES CACTVS 3.385 CC(=O)CN
7 Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)CN