Base information
| Cat. No. | |
| CAS No. | 131068-47-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H39N9O9 |
| Molecular Weight | 633.653 |
| Exact Mass | 633.287 |
| XLogP3 | 2.0443 |
| Mr | 165.683 |
| PSA | 286.93 |
| Sequence | - |
| Atom number | 84 |
| Bond number | 85 |
| Ring number | 2 |
| Rotor number | 21 |
| Residues number | 0 |
| Canonical smiles | NC(=N)NCCC[C@H](N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)C)C)c1ccc(cc1)[N+](=O)[O-])C(=O)N |
