N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}phenylalanine
Chemical Structure Depiction of
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}phenylalanine
N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}phenylalanine
Compound characteristics
| Compound ID: | Y040-8400 |
| Compound Name: | N-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]propanoyl}phenylalanine |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C25 H25 N O6 |
| Smiles: | CC(C(N[C@@H](Cc1ccccc1)C(O)=O)=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8042 |
| logD: | -0.7864 |
| logSw: | -3.2492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.774 |
| InChI Key: | HVZIUDGOLUUDIJ-FUBQLUNQSA-N |