Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : E6F    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1
2 InChIKey InChI 1.03 USQHEVWOPJDAAX-WDSKDSINSA-N
3 SMILES CACTVS 3.385 N[CH]1CCCC[CH]1C(O)=O
4 SMILES OpenEye OEToolkits 2.0.7 C1CCC(C(C1)C(=O)O)N
5 Canonical SMILES CACTVS 3.385 N[C@H]1CCCC[C@@H]1C(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C1CC[C@@H]([C@H](C1)C(=O)O)N