Base information
| Cat. No. | |
| CAS No. | 1041009-91-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H21N3O8S2 |
| Molecular Weight | 447.483 |
| Exact Mass | 447.077 |
| XLogP3 | 0.1329 |
| Mr | 104.498 |
| PSA | 219.17 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 50 |
| Ring number | 1 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CN(C(C(=O)O)CSSc1ccccn1)CCN(CC(=O)O)CC(=O)O |
