Base information
| Cat. No. | |
| CAS No. | 198541-90-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C63H91N17O18S2 |
| Molecular Weight | 1438.63 |
| Exact Mass | 1437.62 |
| XLogP3 | 1.2998 |
| Mr | 373.32 |
| PSA | 613.26 |
| Sequence | - |
| Atom number | 191 |
| Bond number | 195 |
| Ring number | 5 |
| Rotor number | 52 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H](C(=O)N[C@H](C(=O)N)CCSC)NC(=O)CNC(=O)[C@@H](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]1CCCN1C(=O)[C@H](CC(=O)O)N)CC(=O)N)CC(=O)O)CCCNC(=N)N)Cc1ccccc1)Cc1ccc(cc1)O |
