N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-phenylalanyl-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-phenylalanyl-beta-alanine
N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-phenylalanyl-beta-alanine
Compound characteristics
| Compound ID: | Y040-8481 |
| Compound Name: | N-{[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl}-L-phenylalanyl-beta-alanine |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C27 H28 N2 O7 |
| Smiles: | Cc1cc(c2C3CCCC=3C(=O)Oc2c1)OCC(N[C@@H](Cc1ccccc1)C(NCCC(O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9253 |
| logD: | -0.7703 |
| logSw: | -2.5616 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.773 |
| InChI Key: | JLNJISAVXHLNJO-FQEVSTJZSA-N |