Base information
| Cat. No. | |
| CAS No. | 289634-54-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C81H128N32O19S2 |
| Molecular Weight | 1918.22 |
| Exact Mass | 1916.95 |
| XLogP3 | 1.9465 |
| Mr | 517.392 |
| PSA | 902.82 |
| Sequence | - |
| Atom number | 262 |
| Bond number | 267 |
| Ring number | 6 |
| Rotor number | 57 |
| Residues number | 0 |
| Canonical smiles | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)Cc1nc[nH]c1)Cc1nc[nH]c1)[C@H](O)C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](NC(=O)C)CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CCCCN)CCCNC(=N)N |
