Base information
| Cat. No. | |
| CAS No. | 131391-65-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H49N3O9S |
| Molecular Weight | 639.8 |
| Exact Mass | 639.319 |
| XLogP3 | 4.2103 |
| Mr | 172.108 |
| PSA | 227.66 |
| Sequence | - |
| Atom number | 93 |
| Bond number | 92 |
| Ring number | 0 |
| Rotor number | 28 |
| Residues number | 0 |
| Canonical smiles | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC |
