N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-phenylalanine
Chemical Structure Depiction of
N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-phenylalanine
N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-phenylalanine
Compound characteristics
| Compound ID: | Y041-1949 |
| Compound Name: | N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-phenylalanine |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C26 H27 N O7 |
| Smiles: | CC1=CC(=O)Oc2c3CC[C@@](C)(C)Oc3cc(c12)OCC(N[C@H](Cc1ccccc1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7103 |
| logD: | -0.8804 |
| logSw: | -3.3012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.487 |
| InChI Key: | RNQGLADNZZASLE-SFHVURJKSA-N |