Base information
| Cat. No. | |
| CAS No. | 113-80-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C43H67N15O12S2 |
| Molecular Weight | 1050.22 |
| Exact Mass | 1049.45 |
| XLogP3 | 0.9644 |
| Mr | 285.564 |
| PSA | 512.03 |
| Sequence | - |
| Atom number | 139 |
| Bond number | 141 |
| Ring number | 3 |
| Rotor number | 23 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H]1NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CCCNC(=N)N)C |
