Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : L5W    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8-
2 InChIKey InChI 1.03 AHBXSKNCOQIRKT-FKQCQYRASA-N
3 SMILES CACTVS 3.385 ONC(=O)C12CCC(CC1)C2
4 SMILES OpenEye OEToolkits 2.0.7 C1CC2(CCC1C2)C(=O)NO
5 Canonical SMILES CACTVS 3.385 ONC(=O)C12CCC(CC1)C2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C1CC2(CCC1C2)C(=O)NO