rel-(2R)-[(N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanyl)amino](phenyl)acetic acid
Chemical Structure Depiction of
rel-(2R)-[(N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanyl)amino](phenyl)acetic acid
rel-(2R)-[(N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanyl)amino](phenyl)acetic acid
Compound characteristics
| Compound ID: | Y043-7246 |
| Compound Name: | rel-(2R)-[(N-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}alanyl)amino](phenyl)acetic acid |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C23 H22 N2 O7 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCC(N[C@@H](C)C(N[C@@H](C(O)=O)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1099 |
| logD: | -2.8065 |
| logSw: | -2.3739 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.953 |
| InChI Key: | QHHBVIGRDJSDLL-LHSJRXKWSA-N |