Base information
| Cat. No. | |
| CAS No. | 80658-46-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C53H76N14O13 |
| Molecular Weight | 1117.26 |
| Exact Mass | 1116.57 |
| XLogP3 | 2.1479 |
| Mr | 304.152 |
| PSA | 421.54 |
| Sequence | - |
| Atom number | 156 |
| Bond number | 161 |
| Ring number | 6 |
| Rotor number | 35 |
| Residues number | 0 |
| Canonical smiles | CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1C=CCN1C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCC(=O)O)N)CCCN=C(N)N)CCC(=O)N)C |
