Base information
| Cat. No. | |
| CAS No. | 107569-48-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C52H68N14O14 |
| Molecular Weight | 1113.18 |
| Exact Mass | 1112.5 |
| XLogP3 | -0.3545 |
| Mr | 288.79 |
| PSA | 430.46 |
| Sequence | - |
| Atom number | 148 |
| Bond number | 153 |
| Ring number | 6 |
| Rotor number | 37 |
| Residues number | 0 |
| Canonical smiles | OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)CO)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1 |
