Base information
| Cat. No. | |
| CAS No. | 195523-86-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C95H137N27O28 |
| Molecular Weight | 2105.27 |
| Exact Mass | 2104.01 |
| XLogP3 | 3.7965 |
| Mr | 537.021 |
| PSA | 928.04 |
| Sequence | - |
| Atom number | 287 |
| Bond number | 292 |
| Ring number | 6 |
| Rotor number | 82 |
| Residues number | 0 |
| Canonical smiles | CC(C[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)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)CC(=O)O)CC(C)C)CCCNC(=N)N)CCC(=O)N)C)CCC(=O)O)[C@H](O)C)Cc1c[nH]c2c1cccc2)CCC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(=O)N)CCCNC(=N)N)CCC(=O)N)C |
