Base information
| Cat. No. | |
| CAS No. | 101038-78-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C85H144N30O24S |
| Molecular Weight | 2002.3 |
| Exact Mass | 2001.07 |
| XLogP3 | 2.9492 |
| Mr | 506 |
| PSA | 976.19 |
| Sequence | - |
| Atom number | 284 |
| Bond number | 285 |
| Ring number | 2 |
| Rotor number | 88 |
| 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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)Cc1nc[nH]c1)[C@H](O)C)C)CCCNC(=N)N)Cc1ccc(cc1)O)C(C)C)CCC(=O)N)NC(=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](CS)N)CCCCN)CCC(=O)N)CC(C)C)CCC(=O)N)CCCCN)CC(=O)O |
