 |
| Ligand Name:
N-TRIMETHYLLYSINE |
| HET ID: M3L |
PubChem:
440121,
6992003
|
| DrugBank: DB03977 |
ChEMBL: CHEMBL1234168 |
| Canonical SMILES: OC(=O)[C@H](CCCC[N+](C)(C)C)N |
| Standard InChI: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 |
| Molecular Formula: C9H21N2O2+ |
Mol. Weight: 189.27524 |
Heavy Atoms: 13 |
| Charge: 1 |
Is Chiral: True |
logP: 0.9751 |
| HBD: 2 |
HBA: 3 |
TPSA: 63.32 |
| #Bonds: 13 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.8888889 |
| Stereocomplexity: 0.11111111 |
Ligand Type: antibody 309M3-B for Kme3 |