Base information
| Cat. No. | |
| CAS No. | 165174-61-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C102H152N26O29 |
| Molecular Weight | 2206.46 |
| Exact Mass | 2205.12 |
| XLogP3 | 3.5811 |
| Mr | 561.541 |
| PSA | 891.11 |
| Sequence | - |
| Atom number | 309 |
| Bond number | 313 |
| Ring number | 5 |
| Rotor number | 92 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=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)CCC(=O)O)C)Cc1c[nH]c2c1cccc2)CCCC)CCCCN)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](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1nc[nH]c1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)CN)C)Cc1ccc(cc1)O)CC(C)C)CCC(=O)N)C)CO)CCC(=O)O |