Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LFG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15)
2 InChIKey InChI 1.03 JVKMRHJNTQEBIV-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 n2nc(NC1CCCCCC1)oc2C3CC3
4 SMILES CACTVS 3.385 C1CCCC(CC1)Nc2oc(nn2)C3CC3
5 SMILES OpenEye OEToolkits 2.0.6 C1CCCC(CC1)Nc2nnc(o2)C3CC3
6 Canonical SMILES CACTVS 3.385 C1CCCC(CC1)Nc2oc(nn2)C3CC3
7 Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCCC(CC1)Nc2nnc(o2)C3CC3