N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}alanylalanine
Chemical Structure Depiction of
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}alanylalanine
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}alanylalanine
Compound characteristics
| Compound ID: | Y042-8744 |
| Compound Name: | N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}alanylalanine |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C21 H24 N2 O7 |
| Smiles: | C[C@@H](C(O)=O)NC([C@H](C)NC(COc1ccc2C3CCCCC=3C(=O)Oc2c1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.923 |
| logD: | -2.7677 |
| logSw: | -2.2542 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.471 |
| InChI Key: | PSAMEINAOGIZIW-RYUDHWBXSA-N |