Base information
| Cat. No. | |
| CAS No. | 125118-77-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C78H116N20O21 |
| Molecular Weight | 1669.88 |
| Exact Mass | 1668.86 |
| XLogP3 | 1.9926 |
| Mr | 431.458 |
| PSA | 639.28 |
| Sequence | - |
| Atom number | 235 |
| Bond number | 239 |
| Ring number | 5 |
| Rotor number | 63 |
| Residues number | 0 |
| Canonical smiles | NCC(=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)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)C)Cc1nc[nH]c1)CC(C)C)CC(C)C)Cc1ccc(cc1)O)C)CO)CC(=O)N)CC(C)C)[C@H](O)C)Cc1c[nH]c2c1cccc2 |