3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate
Compound characteristics
| Compound ID: | Y040-8003 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]-L-phenylalaninate |
| Molecular Weight: | 605.65 |
| Molecular Formula: | C36 H31 N O8 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)=O)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ABSOLUTE |
| logP: | 6.0487 |
| logD: | 6.0487 |
| logSw: | -5.5681 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.358 |
| InChI Key: | VRTGLKMANWOBHB-LJAQVGFWSA-N |