Base information
| Cat. No. | |
| CAS No. | 76901-59-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C38H57N11O14 |
| Molecular Weight | 891.924 |
| Exact Mass | 891.409 |
| XLogP3 | -0.8679 |
| Mr | 216.599 |
| PSA | 405.61 |
| Sequence | - |
| Atom number | 120 |
| Bond number | 120 |
| Ring number | 1 |
| Rotor number | 37 |
| Residues number | 0 |
| Canonical smiles | NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)C(C)C)CC(=O)N)CC(C)C)CC(=O)O)Cc1ccccc1 |
