Base information
| Cat. No. | |
| CAS No. | 145672-81-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C72H96ClN17O16 |
| Molecular Weight | 1491.09 |
| Exact Mass | 1489.69 |
| XLogP3 | 6.0232 |
| Mr | 393.776 |
| PSA | 532.97 |
| Sequence | - |
| Atom number | 202 |
| Bond number | 206 |
| Ring number | 6 |
| Rotor number | 50 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O.OC[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)N[C@@H](C(=O)N)C)CCCNC(=N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C |
