Base information
| Cat. No. | |
| CAS No. | 177942-21-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C113H204N24O19 |
| Molecular Weight | 2202.98 |
| Exact Mass | 2201.57 |
| XLogP3 | 16.4092 |
| Mr | 612.238 |
| PSA | 703.91 |
| Sequence | - |
| Atom number | 360 |
| Bond number | 361 |
| Ring number | 2 |
| Rotor number | 98 |
| 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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)CC(C)C)CCCCN)CC(C)C)CC(C)C)CCCCN)CC(C)C)Cc1c[nH]c2c1cccc2)CC(C)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](NC(=O)[C@H](CCCCN)N)CC(C)C)CC(C)C)CCCCN)CC(C)C)CC(C)C)CC(C)C |
