Base information
| Cat. No. | |
| CAS No. | 174838-79-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C54H84N18O16 |
| Molecular Weight | 1241.36 |
| Exact Mass | 1240.63 |
| XLogP3 | 4.375 |
| Mr | 319.919 |
| PSA | 578.39 |
| Sequence | - |
| Atom number | 172 |
| Bond number | 173 |
| Ring number | 2 |
| Rotor number | 50 |
| Residues number | 0 |
| Canonical smiles | NCCCC[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)N[C@H](C(=O)O)CC(=O)O)Cc1ccc(c(c1)[N+](=O)[O-])O)C)CC(C)C)CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)c1ccccc1N)CCCNC(=N)N |
