Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FLA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1
2 InChIKey InChI 1.03 HMJQKIDUCWWIBW-SFOWXEAESA-N
3 SMILES ACDLabs 10.04 FC(F)(F)C(N)C(=O)O
4 SMILES CACTVS 3.341 N[CH](C(O)=O)C(F)(F)F
5 SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)(C(F)(F)F)N
6 Canonical SMILES CACTVS 3.341 N[C@@H](C(O)=O)C(F)(F)F
7 Canonical SMILES OpenEye OEToolkits 1.5.0 [C@H](C(=O)O)(C(F)(F)F)N