N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetyl]isoleucine
Chemical Structure Depiction of
N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetyl]isoleucine
N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetyl]isoleucine
Compound characteristics
| Compound ID: | Y043-6301 |
| Compound Name: | N-[(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetyl]isoleucine |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C23 H29 N O6 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC(CC1=C(C)c2cc3CCC(C)(C)Oc3cc2OC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6742 |
| logD: | -0.913 |
| logSw: | -2.8237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.725 |
| InChI Key: | IMMINJGPIKVWQB-ODXCJYRJSA-N |