N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-alanylglycylglycine
Chemical Structure Depiction of
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-alanylglycylglycine
N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-alanylglycylglycine
Compound characteristics
| Compound ID: | Y040-8501 |
| Compound Name: | N-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-alanylglycylglycine |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C22 H25 N3 O8 |
| Smiles: | C[C@@H](C(NCC(NCC(O)=O)=O)=O)NC(COc1ccc2C3CCCCC=3C(=O)Oc2c1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1704 |
| logD: | -3.7578 |
| logSw: | -2.2234 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 129.755 |
| InChI Key: | OHARMSHADYWKEG-LBPRGKRZSA-N |