Base information
| Cat. No. | |
| CAS No. | 80195-36-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H15N5O6S2 |
| Molecular Weight | 413.429 |
| Exact Mass | 413.046 |
| XLogP3 | 0.1986 |
| Mr | 99.7274 |
| PSA | 220.98 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COCC1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\O)/c1csc(n1)N |
