Base information
| Cat. No. | |
| CAS No. | 1566590-77-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C80H115N21O21 |
| Molecular Weight | 1706.9 |
| Exact Mass | 1705.86 |
| XLogP3 | 3.2114 |
| Mr | 443.7 |
| PSA | 680.28 |
| Sequence | - |
| Atom number | 237 |
| Bond number | 241 |
| Ring number | 6 |
| Rotor number | 64 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O.CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)CCCCN)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)Cc1ccccc1)Cc1[nH]cnc1)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)Cc1ccc(cc1)O)CO |
