Base information
| Cat. No. | |
| CAS No. | 80237-40-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H59N9O9S |
| Molecular Weight | 830.006 |
| Exact Mass | 829.416 |
| XLogP3 | 3.2183 |
| Mr | 218.395 |
| PSA | 335.49 |
| Sequence | - |
| Atom number | 117 |
| Bond number | 118 |
| Ring number | 2 |
| Rotor number | 34 |
| 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](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CCSC |
