Base information
| Cat. No. | |
| CAS No. | 80072-86-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H17N3O8S3 |
| Molecular Weight | 535.57 |
| Exact Mass | 535.018 |
| XLogP3 | 3.2799 |
| Mr | 134.245 |
| PSA | 248.67 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 55 |
| Ring number | 4 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1ccc(c(c1)C(=O)O)[N+](=O)[O-])Cc1cccs1 |
