Base information
| Cat. No. | |
| CAS No. | 142878-79-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C102H166N28O30S3 |
| Molecular Weight | 2360.77 |
| Exact Mass | 2359.15 |
| XLogP3 | 1.2928 |
| Mr | 659.328 |
| PSA | 1011.58 |
| Sequence | - |
| Atom number | 329 |
| Bond number | 331 |
| Ring number | 2 |
| Rotor number | 107 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)Cc1ccccc1)CC(C)C)CCCCN)CC(C)C)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(cc1)O)N)CC(C)C)CO |