Base information
| Cat. No. | |
| CAS No. | 852572-93-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C58H84N14O22S2 |
| Molecular Weight | 1393.5 |
| Exact Mass | 1392.53 |
| XLogP3 | 0.4146 |
| Mr | 348.051 |
| PSA | 645.86 |
| Sequence | - |
| Atom number | 180 |
| Bond number | 182 |
| Ring number | 3 |
| Rotor number | 50 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)Cc1ccc(c(c1)[N+](=O)[O-])O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1N)CC(=O)O)CC(=O)O)CS)CO |
