Base information
| Cat. No. | |
| CAS No. | 106507-61-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C77H119N23O30 |
| Molecular Weight | 1846.9 |
| Exact Mass | 1845.85 |
| XLogP3 | -1.4226 |
| Mr | 448.371 |
| PSA | 880.73 |
| Sequence | - |
| Atom number | 249 |
| Bond number | 250 |
| Ring number | 2 |
| Rotor number | 79 |
| Residues number | 0 |
| Canonical smiles | CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(=N)N)Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)CCC(=O)O)C)C)CCC(=O)N)C |