Base information
| Cat. No. | |
| CAS No. | 148440-73-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C51H81N17O15S2 |
| Molecular Weight | 1236.42 |
| Exact Mass | 1235.55 |
| XLogP3 | 1.0755 |
| Mr | 331.596 |
| PSA | 590.46 |
| Sequence | - |
| Atom number | 166 |
| Bond number | 168 |
| Ring number | 3 |
| Rotor number | 33 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CCC(=O)N)[C@H](CC)C)CCCNC(=N)N |