N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl-beta-alanine
Chemical Structure Depiction of
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl-beta-alanine
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl-beta-alanine
Compound characteristics
| Compound ID: | Y040-8490 |
| Compound Name: | N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl-beta-alanine |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C23 H28 N2 O7 S |
| Smiles: | CSCC[C@@H](C(NCCC(O)=O)=O)NC(COc1ccc2C3CCCCC=3C(=O)Oc2c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5128 |
| logD: | -1.1828 |
| logSw: | -2.3784 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.592 |
| InChI Key: | XIWGSXSQMYHDBK-SFHVURJKSA-N |