Base information
| Cat. No. | |
| CAS No. | 402941-23-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C93H127N25O26S3 |
| Molecular Weight | 2107.35 |
| Exact Mass | 2105.85 |
| XLogP3 | 2.8083 |
| Mr | 539.006 |
| PSA | 964.73 |
| Sequence | - |
| Atom number | 274 |
| Bond number | 279 |
| Ring number | 6 |
| Rotor number | 81 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CS)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](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)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CS)CC(=O)O)CS)Cc1ccccc1)CC(=O)O)CC(=O)N)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccc(cc1)O |
