Base information
| Cat. No. | |
| CAS No. | 851199-59-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C59H79N15O21S6 |
| Molecular Weight | 1526.74 |
| Exact Mass | 1525.39 |
| XLogP3 | -0.593 |
| Mr | 414.57 |
| PSA | 725.71 |
| Sequence | - |
| Atom number | 180 |
| Bond number | 185 |
| 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 |
