Base information
| Cat. No. | |
| CAS No. | 133658-45-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C90H111N21O24 |
| Molecular Weight | 1870.97 |
| Exact Mass | 1869.81 |
| XLogP3 | 1.5229 |
| Mr | 507.294 |
| PSA | 697.32 |
| Sequence | - |
| Atom number | 246 |
| Bond number | 253 |
| Ring number | 8 |
| Rotor number | 49 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(=O)O)CO)Cc1ccc(cc1)O)Cc1nc[nH]c1)Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@H](CC)C)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)N)Cc1c[nH]c2c1cccc2)C |
