Base information
| Cat. No. | |
| CAS No. | 259746-53-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C68H91N15O17S2 |
| Molecular Weight | 1454.67 |
| Exact Mass | 1453.62 |
| XLogP3 | 1.9124 |
| Mr | 400.921 |
| PSA | 587.48 |
| Sequence | - |
| Atom number | 193 |
| Bond number | 198 |
| Ring number | 6 |
| Rotor number | 37 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)C)CCSCC(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)[C@H](O)C)CS)Cc1ccc(cc1)N)N)Cc1c[nH]c2c1cccc2 |
