N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-valine
Chemical Structure Depiction of
N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-valine
N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-valine
Compound characteristics
| Compound ID: | Y042-9302 |
| Compound Name: | N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-valine |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | CC(C)[C@@H](C(O)=O)NCc1c(ccc2C3CCCC=3C(=O)Oc12)O |
| Stereo: | ABSOLUTE |
| logP: | 0.982 |
| logD: | -1.7133 |
| logSw: | -2.2055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.268 |
| InChI Key: | IGYSUTYZXHVBIC-HNNXBMFYSA-N |