Base information
| Cat. No. | |
| CAS No. | 80801-26-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H47N9O11 |
| Molecular Weight | 685.726 |
| Exact Mass | 685.34 |
| XLogP3 | -2.4228 |
| Mr | 173.863 |
| PSA | 328.2 |
| Sequence | - |
| Atom number | 95 |
| Bond number | 95 |
| Ring number | 1 |
| Rotor number | 23 |
| Residues number | 0 |
| Canonical smiles | CC/C(=C(\C(=O)N[C@H](C(=O)O)CO)/NC(=O)[C@@H](NC(=O)[C@@H]1CCC=NN1C(=O)[C@H]([C@@H](N)C)NC(=O)[C@@H](NC(=O)C(CO)(CO)N)C)C)/C |
