Base information
| Cat. No. | |
| CAS No. | 251634-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C47H80N18O14 |
| Molecular Weight | 1121.25 |
| Exact Mass | 1120.61 |
| XLogP3 | -0.7424 |
| Mr | 290.4 |
| PSA | 529.06 |
| Sequence | - |
| Atom number | 159 |
| Bond number | 161 |
| Ring number | 3 |
| Rotor number | 42 |
| Residues number | 0 |
| Canonical smiles | OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCCNC(=N)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)N |
