Base information
| Cat. No. | |
| CAS No. | 146554-17-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C78H134N28O19S |
| Molecular Weight | 1800.14 |
| Exact Mass | 1799.01 |
| XLogP3 | 3.3072 |
| Mr | 462.403 |
| PSA | 818.98 |
| Sequence | - |
| Atom number | 260 |
| Bond number | 261 |
| Ring number | 2 |
| Rotor number | 81 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)CCCCN)CCC(=O)N)C)CO)Cc1ccccc1)CCCNC(=N)N)CCSC)C)CCCNC(=N)N |
