Base information
| Cat. No. | |
| CAS No. | 207553-42-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C54H84N16O18 |
| Molecular Weight | 1245.34 |
| Exact Mass | 1244.61 |
| XLogP3 | -1.4281 |
| Mr | 310.981 |
| PSA | 563.31 |
| Sequence | - |
| Atom number | 172 |
| Bond number | 174 |
| Ring number | 3 |
| Rotor number | 48 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)CCC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](O)C)N)C)CC(=O)N |
