Base information
| Cat. No. | |
| CAS No. | 28152-90-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C142H239N47O46 |
| Molecular Weight | 3340.7 |
| Exact Mass | 3338.78 |
| XLogP3 | 0.8106 |
| Mr | 839.651 |
| PSA | 1501.43 |
| Sequence | - |
| Atom number | 474 |
| Bond number | 476 |
| Ring number | 3 |
| Rotor number | 147 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=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](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N)CCC(=O)O)C)CCC(=O)O)CC(=O)N)CCC(=O)N)C)C)CCC(=O)O)CC(C)C)CC(C)C)CC(C)C)CCC(=O)N)C)CC(C)C)C)CC(C)C)CCC(=O)O)CCC(=O)N |