Base information
| Cat. No. | |
| CAS No. | 172615-51-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C73H114N18O22 |
| Molecular Weight | 1595.79 |
| Exact Mass | 1594.84 |
| XLogP3 | 2.4773 |
| Mr | 407.47 |
| PSA | 669.04 |
| Sequence | - |
| Atom number | 227 |
| Bond number | 229 |
| Ring number | 3 |
| Rotor number | 67 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=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)NCC(=O)O)Cc1ccccc1)CCC(=O)O)[C@H](CC)C)CC(=O)N)C(C)C)Cc1ccc(cc1)O)CCC(=O)O)CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCCN |
