Base information
| Cat. No. | |
| CAS No. | 11113-62-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C138H240N12O36 |
| Molecular Weight | 2643.44 |
| Exact Mass | 2641.73 |
| XLogP3 | 14.205 |
| Mr | 762.918 |
| PSA | 559.32 |
| Sequence | - |
| Atom number | 426 |
| Bond number | 426 |
| Ring number | 4 |
| Rotor number | 30 |
| Residues number | 0 |
| Canonical smiles | CC([C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H](OC(=O)[C@@H](N(C1=O)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C.CC[C@@H]([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@H](CC)C)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@H](CC)C)C)C(C)C)C.CC[C@@H]([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@H](CC)C)C)C(C)C)C.CC[C@@H]([C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C |