N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanyl-L-methionine
Chemical Structure Depiction of
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanyl-L-methionine
N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanyl-L-methionine
Compound characteristics
| Compound ID: | Y040-8475 |
| Compound Name: | N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-beta-alanyl-L-methionine |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C22 H26 N2 O7 S |
| Smiles: | CSCC[C@@H](C(O)=O)NC(CCNC(COc1ccc2C3CCCC=3C(=O)Oc2c1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.02 |
| logD: | -3.6378 |
| logSw: | -2.1642 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.769 |
| InChI Key: | KBHULYYOJJWRFD-KRWDZBQOSA-N |