Base information
| Cat. No. | |
| CAS No. | 4876-45-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H32N2O5S |
| Molecular Weight | 424.554 |
| Exact Mass | 424.203 |
| XLogP3 | 2.9993 |
| Mr | 111.865 |
| PSA | 106.84 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 62 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C1C([C@@H]2C([C@@]1(C)CC2)(C)C)S(=O)(=O)[O-].CCN(C(=O)c1ccc[n+](c1)C)CC |
