Base information
| Cat. No. | |
| CAS No. | 177943-89-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C67H94N14O21S2 |
| Molecular Weight | 1495.67 |
| Exact Mass | 1494.62 |
| XLogP3 | -0.0151 |
| Mr | 413.174 |
| PSA | 585.36 |
| Sequence | - |
| Atom number | 198 |
| Bond number | 202 |
| Ring number | 6 |
| Rotor number | 29 |
| Residues number | 0 |
| Canonical smiles | CC(=O)O.NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cc1c[nH]c2c1cccc2 |
