Base information
| Cat. No. | |
| CAS No. | 1621188-94-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C51H82N14O22S2 |
| Molecular Weight | 1307.41 |
| Exact Mass | 1306.52 |
| XLogP3 | -4.0457 |
| Mr | 311.491 |
| PSA | 688.81 |
| Sequence | - |
| Atom number | 171 |
| Bond number | 171 |
| Ring number | 1 |
| Rotor number | 51 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CS)CC(=O)O)CO)CC(=O)N)CS)Cc1ccc(cc1)O |
