 |
| Ligand Name: (1R,2S,3R,4S,5S,6R)-7-(8-azidooctyl)-3,4,5-trihydroxy-7-azabicyclo[4.1.0]heptane-2-carboxylic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB944 |
PubChem:
126961875
|
| Synonym(s):
-
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O[C@H]1[C@H]2[C@@H]([C@@H]([C@@H](O)[C@@H]1O)C(O)=O)N2CCCCCCCCN=[N+]=[N-] |
| Standard InChI: InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-8-19-10-9(15(23)24)12(20)14(22)13(21)11(10)19/h9-14,20-22H,1-8H2,(H,23,24)/t9-,10+,11+,12+,13-,14-,19?/m0/s1 |
| Molecular Formula: C15H26N4O5 |
Mol. Weight: 342.1903 |
logP: 0.4872 |
| HBD: 4 | HBA: 6 |
| #Rotatable Bonds: 10 | TPSA: 149.76 |