Base information
| Cat. No. | |
| CAS No. | 172666-82-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C52H77N17O14 |
| Molecular Weight | 1164.27 |
| Exact Mass | 1163.58 |
| XLogP3 | 5.4074 |
| Mr | 311.635 |
| PSA | 495.7 |
| Sequence | - |
| Atom number | 160 |
| Bond number | 163 |
| Ring number | 4 |
| Rotor number | 42 |
| Residues number | 0 |
| Canonical smiles | OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCNC(=N)N)CC(C)C)C)CC(C)C)CCCNC(=N)N |
