N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valine
Chemical Structure Depiction of
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valine
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valine
Compound characteristics
| Compound ID: | Y043-5827 |
| Compound Name: | N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valine |
| Molecular Weight: | 373.4 |
| Molecular Formula: | C20 H23 N O6 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(COc1cc(C)cc2c1C1CCCC=1C(=O)O2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3933 |
| logD: | -2.1938 |
| logSw: | -1.5508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.264 |
| InChI Key: | MRKPIEDYLQYHHC-SFHVURJKSA-N |