Base information
| Cat. No. | |
| CAS No. | 1229236-78-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C90H161ClN36O24 |
| Molecular Weight | 2166.92 |
| Exact Mass | 2165.22 |
| XLogP3 | 1.3433 |
| Mr | 545.85 |
| PSA | 987.09 |
| Sequence | - |
| Atom number | 312 |
| Bond number | 312 |
| Ring number | 1 |
| Rotor number | 105 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)NCC(=O)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)N[C@H](C(=O)O)C(C)C)CCCCN)CCCNC(=N)N)Cc1nc[nH]c1)CCCNC(=N)N)CCCCN)C)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)C)CO)CCCNC(=N)CCl)CCCCN)CCCCN)CC(C)C |
