NIL   

GtoPdb Ligand ID: 5231

Synonyms: L-N6-(1-iminoethyl)lysine | N6-ethanimidoyl-D-lysine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 99.2
Molecular weight 187.13
XLogP -2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=N)NCCCCC(C(=O)O)N
Isomeric SMILES CC(=N)NCCCC[C@H](C(=O)O)N
InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
InChI Key ONYFNWIHJBLQKE-SSDOTTSWSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel