Base information
| Cat. No. | |
| CAS No. | 111863-73-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C64H107N25O19S2 |
| Molecular Weight | 1594.82 |
| Exact Mass | 1593.76 |
| XLogP3 | -0.7578 |
| Mr | 440.573 |
| PSA | 790.57 |
| Sequence | - |
| Atom number | 217 |
| Bond number | 218 |
| Ring number | 2 |
| Rotor number | 35 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC1=O)C)C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CO)CO)Cc1ccccc1)[C@H](CC)C)C |
