HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20639713Generated: October 27, 2026
N-[(1-methyl-3-isobutyl-indole-2-cabonyl)valinyl]-3-amino-4-oxo-5-(4-fluorophenyloxy)-pentanoic Acid
https://huagongshe.com/en/chemical/20639713
Identifiers & Physical Properties
| Molecular formula | C30H36FN3O6 |
|---|
| Average molar mass | 553.6 g/mol |
|---|
| SMILES | CC(C)Cc1c(C(=O)N[C@H](C(=O)NC(CC(=O)O)C(=O)COc2ccc(F)cc2)C(C)C)n(C)c2ccccc12 |
|---|
| InChIKey | HFINLNQDGZTSHF-JVHFYALYSA-N |
|---|
| PubChem CID | 20639713 |
|---|
Chemical & Physical Properties
| XLogP | 5 |
|---|
| Topological polar surface area | 127 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 7 |
|---|
| Rotatable bonds | 13 |
|---|
| Heavy atoms | 40 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 891 |
|---|
![N-[(1-methyl-3-isobutyl-indole-2-cabonyl)valinyl]-3-amino-4-oxo-5-(4-fluorophenyloxy)-pentanoic Acid molecular structure](/img/chemical/20639713.png)