N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]isoleucine
Chemical Structure Depiction of
N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]isoleucine
N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]isoleucine
Compound characteristics
| Compound ID: | Y042-8716 |
| Compound Name: | N-[(3-hydroxy-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-4-yl)methyl]isoleucine |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C20 H25 N O5 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NCc1c(ccc2C3CCCCC=3C(=O)Oc12)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0947 |
| logD: | -0.6006 |
| logSw: | -2.8695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.902 |
| InChI Key: | UYFNOTJIQGIEIF-DIFFPNOSSA-N |