Base information
| Cat. No. | |
| CAS No. | 111113-73-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N6O6 |
| Molecular Weight | 454.436 |
| Exact Mass | 454.16 |
| XLogP3 | 1.6478 |
| Mr | 118.931 |
| PSA | 200.39 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCCc1ccc2c(n1)c(=O)nc([nH]2)N |
