Base information
| Cat. No. | |
| CAS No. | 135889-00-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N5O6S2 |
| Molecular Weight | 453.493 |
| Exact Mass | 453.078 |
| XLogP3 | 1.9629 |
| Mr | 113.348 |
| PSA | 231.48 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 51 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CC/C=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N |
