Base information
| Cat. No. | |
| CAS No. | 111113-75-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26N6O6 |
| Molecular Weight | 458.468 |
| Exact Mass | 458.191 |
| XLogP3 | 1.8119 |
| Mr | 123.37 |
| PSA | 199.53 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 61 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCC[C@H]1CCc2c(N1)c(=O)nc([nH]2)N |
