Base information
| Cat. No. | |
| CAS No. | 127633-77-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H81N13O17S |
| Molecular Weight | 1228.37 |
| Exact Mass | 1227.56 |
| XLogP3 | 0.8873 |
| Mr | 317.704 |
| PSA | 488.6 |
| Sequence | - |
| Atom number | 167 |
| Bond number | 170 |
| Ring number | 4 |
| Rotor number | 44 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)CC(=O)N)CC(=O)O)CCC(=O)O)Cc1ccccc1)CC(C)C |
