Base information
| Cat. No. | |
| CAS No. | 851199-60-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C61H83N15O23S6 |
| Molecular Weight | 1586.79 |
| Exact Mass | 1585.41 |
| XLogP3 | -0.5021 |
| Mr | 428.069 |
| PSA | 763.01 |
| Sequence | - |
| Atom number | 188 |
| Bond number | 192 |
| Ring number | 6 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CC[C@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)CSSC[C@H](NC(=O)CNC(=O)C(NC3=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CSSC[C@@H](C(=O)N2)N)CC(=O)N)CCC4.CC(=O)O |
