Base information
| Cat. No. | |
| CAS No. | 176857-41-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21N7O5 |
| Molecular Weight | 451.435 |
| Exact Mass | 451.16 |
| XLogP3 | 2.1366 |
| Mr | 118.298 |
| PSA | 207.3 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@@H](NC(=O)c1ccc(cc1)CCc1cnc2c(n1)c(N)nc(n2)N)CC(=C)C(=O)O |
