Base information
| Cat. No. | |
| CAS No. | 73547-69-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H44N6O7S2 |
| Molecular Weight | 844.997 |
| Exact Mass | 844.271 |
| XLogP3 | 5.1815 |
| Mr | 233.423 |
| PSA | 219.77 |
| Sequence | - |
| Atom number | 104 |
| Bond number | 110 |
| Ring number | 7 |
| Rotor number | 17 |
| Residues number | 0 |
| Canonical smiles | O=C(/C(=N\OC(C(=O)OC(C)(C)C)(C)C)/c1csc(n1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1 |
