Base information
| Cat. No. | |
| CAS No. | 145459-34-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C88H139N25O26 |
| Molecular Weight | 1963.2 |
| Exact Mass | 1962.03 |
| XLogP3 | -0.342 |
| Mr | 495.877 |
| PSA | 829.2 |
| Sequence | - |
| Atom number | 278 |
| Bond number | 280 |
| Ring number | 3 |
| Rotor number | 81 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)CCCCN)CO)C(C)C)CC(=O)N)[C@H](O)C)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)C)CO |