Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OG2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)/t9-,10+,11-,13-
2 InChIKey InChI 1.03 VGBFQSVFIIHEDN-DNSLJTBWSA-N
3 SMILES CACTVS 3.385 CCNC(=N)NC12CC3CC(CC(C3)C1)C2
4 SMILES OpenEye OEToolkits 2.0.7 CCNC(=N)NC12CC3CC(C1)CC(C3)C2
5 Canonical SMILES CACTVS 3.385 CCNC(=N)NC12CC3CC(CC(C3)C1)C2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\NCC)/NC12CC3CC(C1)CC(C3)C2