Base information
| Cat. No. | |
| CAS No. | 87239-81-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H27N5O9S2 |
| Molecular Weight | 557.597 |
| Exact Mass | 557.125 |
| XLogP3 | 1.737 |
| Mr | 136.004 |
| PSA | 234.51 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 66 |
| Ring number | 3 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | COCC1=C(C(=O)OC(OC(=O)OC(C)C)C)N2[C@H](SC1)[C@@H](C2=O)NC(=O)/C(=N\OC)/c1csc(n1)N |
