Base information
| Cat. No. | |
| CAS No. | 33512-65-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C111H175N35O21 |
| Molecular Weight | 2335.8 |
| Exact Mass | 2334.37 |
| XLogP3 | 7.8122 |
| Mr | 631.428 |
| PSA | 915.23 |
| Sequence | - |
| Atom number | 342 |
| Bond number | 349 |
| Ring number | 8 |
| Rotor number | 94 |
| 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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)Cc1ccccc1)CCCNC(=N)N)CCCCN |