Base information
| Cat. No. | |
| CAS No. | 115797-06-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C55H88N16O16S4 |
| Molecular Weight | 1357.64 |
| Exact Mass | 1356.54 |
| XLogP3 | -0.4234 |
| Mr | 348.085 |
| PSA | 665.5 |
| Sequence | - |
| Atom number | 179 |
| Bond number | 181 |
| Ring number | 3 |
| Rotor number | 50 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CS)CO)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CS)CS)CC(=O)N)C)CS |
