Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OFZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13-
2 InChIKey InChI 1.03 GKPMCHKJTWWYLH-FOPUMGAHSA-N
3 SMILES CACTVS 3.385 CCNC(=N)NCC1C2CC3CC(C2)CC1C3
4 SMILES OpenEye OEToolkits 2.0.7 CCNC(=N)NCC1C2CC3CC(C2)CC1C3
5 Canonical SMILES CACTVS 3.385 CCNC(=N)NCC1C2CC3CC(C2)CC1C3
6 Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3