N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycyl-D-valine
Chemical Structure Depiction of
N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycyl-D-valine
N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycyl-D-valine
Compound characteristics
| Compound ID: | Y041-2079 |
| Compound Name: | N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}glycyl-D-valine |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C24 H30 N2 O8 |
| Smiles: | CC(C)[C@H](C(O)=O)NC(CNC(COc1cc2c(CC[C@](C)(C)O2)c2c1C(C)=CC(=O)O2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.4047 |
| logD: | -2.2244 |
| logSw: | -1.8267 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.952 |
| InChI Key: | YPKACPZKZPTAFQ-NRFANRHFSA-N |