Base information
| Cat. No. | |
| CAS No. | 89430-38-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C79H105N21O13S |
| Molecular Weight | 1588.88 |
| Exact Mass | 1587.79 |
| XLogP3 | 7.4459 |
| Mr | 435.81 |
| PSA | 589.3 |
| Sequence | - |
| Atom number | 219 |
| Bond number | 227 |
| Ring number | 9 |
| Rotor number | 55 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=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)N[C@H](C(=O)N)CCSC)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)Cc1ccccc1)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N |
