Base information
| Cat. No. | |
| CAS No. | 111298-82-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H15N3O5S3 |
| Molecular Weight | 401.481 |
| Exact Mass | 401.017 |
| XLogP3 | 1.39 |
| Mr | 98.374 |
| PSA | 212.66 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)Cc1sc(nc1C)SCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)N |
