Base information
| Cat. No. | |
| CAS No. | 112173-49-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C78H125N25O23 |
| Molecular Weight | 1780.98 |
| Exact Mass | 1779.94 |
| XLogP3 | 1.8275 |
| Mr | 452.035 |
| PSA | 795.42 |
| Sequence | - |
| Atom number | 251 |
| Bond number | 253 |
| Ring number | 3 |
| Rotor number | 74 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCNC(=N)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)N)CC(C)C)Cc1nc[nH]c1)CC(C)C)CC(=O)O)CCC(=O)N)CO)C |
