Base information
| Cat. No. | |
| CAS No. | 31078-12-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C68H106N22O17S |
| Molecular Weight | 1535.77 |
| Exact Mass | 1534.78 |
| XLogP3 | 2.0695 |
| Mr | 396.582 |
| PSA | 645.48 |
| Sequence | - |
| Atom number | 214 |
| Bond number | 217 |
| Ring number | 4 |
| Rotor number | 61 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)CCCNC(=N)N)CC(C)C)CCC(=O)N)C)CC(C)C |
