Base information
| Cat. No. | |
| CAS No. | 138661-02-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C62H85N13O19S2 |
| Molecular Weight | 1380.54 |
| Exact Mass | 1379.55 |
| XLogP3 | -0.2766 |
| Mr | 367.95 |
| PSA | 544.82 |
| Sequence | - |
| Atom number | 181 |
| Bond number | 185 |
| Ring number | 5 |
| Rotor number | 36 |
| Residues number | 0 |
| Canonical smiles | NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(O)C)C(=O)N[C@@H]([C@H](O)C)CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2 |
