(2S)-phenyl{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}acetic acid
Chemical Structure Depiction of
(2S)-phenyl{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}acetic acid
(2S)-phenyl{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}acetic acid
Compound characteristics
| Compound ID: | Y040-4053 |
| Compound Name: | (2S)-phenyl{2-[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetamido}acetic acid |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C25 H25 N O7 |
| Smiles: | CC1=CC(=O)Oc2c3CC[C@@](C)(C)Oc3cc(c12)OCC(N[C@H](C(O)=O)c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7879 |
| logD: | -1.0864 |
| logSw: | -3.4444 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.209 |
| InChI Key: | GHKUMLWXBYYVNR-JOCHJYFZSA-N |