N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanylvaline
Chemical Structure Depiction of
N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanylvaline
N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanylvaline
Compound characteristics
| Compound ID: | Y040-8453 |
| Compound Name: | N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanylvaline |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C20 H24 N2 O7 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC([C@H](C)NC(COc1ccc2C(C)=CC(=O)Oc2c1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1945 |
| logD: | -3.8237 |
| logSw: | -2.2527 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.225 |
| InChI Key: | UURKYXPACKJNMK-SGTLLEGYSA-N |