Base information
| Cat. No. | |
| CAS No. | 689293-68-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H30N12O8S2 |
| Molecular Weight | 666.69 |
| Exact Mass | 666.175 |
| XLogP3 | -1.2479 |
| Mr | 162.868 |
| PSA | 355.75 |
| Sequence | - |
| Atom number | 75 |
| Bond number | 78 |
| Ring number | 4 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | NCCNC(=O)Nc1c[n+](n(c1N)C)CC1=C(C(=O)[O-])N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC(C(=O)O)(C)C)/c1nsc(n1)N |
