Base information
| Cat. No. | |
| CAS No. | 171599-83-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H38N6O11S |
| Molecular Weight | 666.7 |
| Exact Mass | 666.232 |
| XLogP3 | 1.319 |
| Mr | 172.027 |
| PSA | 253.93 |
| Sequence | - |
| Atom number | 84 |
| Bond number | 86 |
| Ring number | 4 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C(CC(=O)O)(CC(=O)O)O.CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C |
