 |
| Ligand Name: cyclophellitol-6-carboxylate aziridine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1053 |
PubChem:
126961867
|
Synonym(s):
- (1r,2s,3r,4s,5s,6r)-3,4,5-trihydroxy-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O[C@H]1[C@@H]2N[C@@H]2[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |
| Standard InChI: InChI=1S/C7H11NO5/c9-4-1(7(12)13)2-3(8-2)5(10)6(4)11/h1-6,8-11H,(H,12,13)/t1-,2+,3+,4+,5-,6-/m0/s1 |
| Molecular Formula: C7H11NO5 |
Mol. Weight: 189.06372 |
logP: -2.8761 |
| HBD: 5 | HBA: 5 |
| #Rotatable Bonds: 1 | TPSA: 119.93 |