Base information
| Cat. No. | |
| CAS No. | 100900-29-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H69N13O12 |
| Molecular Weight | 972.099 |
| Exact Mass | 971.519 |
| XLogP3 | 1.6571 |
| Mr | 253.968 |
| PSA | 392.35 |
| Sequence | - |
| Atom number | 138 |
| Bond number | 139 |
| Ring number | 3 |
| Rotor number | 34 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O.CNCC(=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)N1CCC[C@H]1C(=O)NCC(=O)O)Cc1nc[nH]c1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCNC(=N)N |