Base information
| Cat. No. | |
| CAS No. | 122481-75-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C81H110N20O12 |
| Molecular Weight | 1555.87 |
| Exact Mass | 1554.86 |
| XLogP3 | 8.8192 |
| Mr | 434.926 |
| PSA | 520.91 |
| Sequence | - |
| Atom number | 223 |
| Bond number | 231 |
| Ring number | 9 |
| Rotor number | 53 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=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)N[C@H](C(=O)N)CC(C)C)CC(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)N |
