Base information
| Cat. No. | |
| CAS No. | 111844-24-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H37N9O10 |
| Molecular Weight | 587.583 |
| Exact Mass | 587.266 |
| XLogP3 | -2.2857 |
| Mr | 141.284 |
| PSA | 319.46 |
| Sequence | - |
| Atom number | 78 |
| Bond number | 78 |
| Ring number | 1 |
| Rotor number | 23 |
| Residues number | 0 |
| Canonical smiles | NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)CO)CC(=O)O)CCCNC(=N)N |
