Base information
| Cat. No. | |
| CAS No. | 117399-94-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C109H159N25O32S5 |
| Molecular Weight | 2491.9 |
| Exact Mass | 2490.02 |
| XLogP3 | 3.6279 |
| Mr | 684.048 |
| PSA | 1035.13 |
| Sequence | - |
| Atom number | 330 |
| Bond number | 336 |
| Ring number | 7 |
| Rotor number | 53 |
| Residues number | 0 |
| Canonical smiles | NCCCCC1NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C2CSSCC(NC(=O)C(NC1=O)CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CSSCC(C(=O)NC(C(=O)N2)CO)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)C(CC)C)CC(=O)O)CC(C)C)Cc1cnc[nH]1)CO |
