Base information
| Cat. No. | |
| CAS No. | 100900-23-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C54H90N16O18 |
| Molecular Weight | 1251.39 |
| Exact Mass | 1250.66 |
| XLogP3 | -0.157 |
| Mr | 312.913 |
| PSA | 564.17 |
| Sequence | - |
| Atom number | 178 |
| Bond number | 179 |
| Ring number | 2 |
| Rotor number | 51 |
| 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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1nc[nH]c1)CO)CC(=O)O)CC(C)C)CO)CCC(=O)N)CC(C)C)CC(=O)N)NC(=O)[C@H]([C@H](CC)C)N |
