Base information
| Cat. No. | |
| CAS No. | 72558-82-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H22N6O7S2 |
| Molecular Weight | 546.576 |
| Exact Mass | 546.099 |
| XLogP3 | -0.3892 |
| Mr | 136.398 |
| PSA | 244.76 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 62 |
| Ring number | 4 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | O=C1[C@@H](NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2csc(n2)N)[C@@H]2N1C(=C(CS2)C[n+]1ccccc1)C(=O)[O-] |
