Base information
| Cat. No. | |
| CAS No. | 66148-78-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18N2O7S2 |
| Molecular Weight | 414.453 |
| Exact Mass | 414.056 |
| XLogP3 | 0.8509 |
| Mr | 100.242 |
| PSA | 186.78 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CO[C@@]1(NC(=O)C(c2cscc2)C(=O)O)C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C |
