Base information
| Cat. No. | |
| CAS No. | 125441-00-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C68H95N13O29S |
| Molecular Weight | 1590.62 |
| Exact Mass | 1589.61 |
| XLogP3 | 2.0236 |
| Mr | 383.955 |
| PSA | 679.28 |
| Sequence | - |
| Atom number | 206 |
| Bond number | 208 |
| Ring number | 3 |
| Rotor number | 62 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(C)C)Cc1ccc(cc1)OS(=O)(=O)O)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C)CC(=O)O)Cc1ccccc1)CCC(=O)O)CCC(=O)O)C |
