N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-alanine
Chemical Structure Depiction of
N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-alanine
N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-alanine
Compound characteristics
| Compound ID: | Y040-3596 |
| Compound Name: | N-[(7-hydroxy-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-6-yl)methyl]-L-alanine |
| Molecular Weight: | 303.31 |
| Molecular Formula: | C16 H17 N O5 |
| Smiles: | C[C@@H](C(O)=O)NCc1c(ccc2C3CCCC=3C(=O)Oc12)O |
| Stereo: | ABSOLUTE |
| logP: | 0.7884 |
| logD: | -1.9684 |
| logSw: | -2.1207 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.079 |
| InChI Key: | AFDCVEKQYSLRDS-QMMMGPOBSA-N |