Base information
| Cat. No. | |
| CAS No. | 228544-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C45H55N9O12 |
| Molecular Weight | 913.971 |
| Exact Mass | 913.397 |
| XLogP3 | 1.2698 |
| Mr | 239.245 |
| PSA | 348.7 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 125 |
| Ring number | 5 |
| Rotor number | 28 |
| Residues number | 0 |
| Canonical smiles | OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(=O)N)[C@H](O)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1ccc(cc1)O)N |