Base information
| Cat. No. | |
| CAS No. | 454487-07-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H65N17O12S2 |
| Molecular Weight | 992.138 |
| Exact Mass | 991.444 |
| XLogP3 | -1.0406 |
| Mr | 273.023 |
| PSA | 559.86 |
| Sequence | - |
| Atom number | 132 |
| Bond number | 132 |
| Ring number | 1 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H]1NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@@H](N)CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)[C@H](O)C)CCCNC(=N)N)C(=O)O |
