N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valyl-beta-alanine
Chemical Structure Depiction of
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valyl-beta-alanine
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valyl-beta-alanine
Compound characteristics
| Compound ID: | Y040-8480 |
| Compound Name: | N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-valyl-beta-alanine |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C23 H28 N2 O7 |
| Smiles: | CC(C)[C@@H](C(NCCC(O)=O)=O)NC(COc1cc(C)cc2c1C1CCCC=1C(=O)O2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2224 |
| logD: | -1.4733 |
| logSw: | -1.6364 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.766 |
| InChI Key: | MMLGYLURLBDWNW-NRFANRHFSA-N |