Base information
| Cat. No. | |
| CAS No. | 87218-84-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C89H139N27O24S4 |
| Molecular Weight | 2099.48 |
| Exact Mass | 2097.94 |
| XLogP3 | 3.922 |
| Mr | 571.469 |
| PSA | 937.88 |
| Sequence | - |
| Atom number | 283 |
| Bond number | 287 |
| Ring number | 5 |
| Rotor number | 56 |
| Residues number | 0 |
| Canonical smiles | CSCC[C@@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)C(C)C)CCCNC(=N)N)C(C)C)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(=O)O)N)CCSC)CCCNC(=N)N |
