N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]glycylisoleucine
Chemical Structure Depiction of
N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]glycylisoleucine
N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]glycylisoleucine
Compound characteristics
| Compound ID: | Y041-2131 |
| Compound Name: | N-[3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]glycylisoleucine |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C21 H26 N2 O7 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NC(CNC(CCC1=C(C)c2ccc(cc2OC1=O)O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6339 |
| logD: | -2.9952 |
| logSw: | -2.3256 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.48 |
| InChI Key: | NZUJOEXJUZSFNH-WYRIXSBYSA-N |