N-(6-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetamido}hexanoyl)-L-valine
Chemical Structure Depiction of
N-(6-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetamido}hexanoyl)-L-valine
N-(6-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetamido}hexanoyl)-L-valine
Compound characteristics
| Compound ID: | Y040-8482 |
| Compound Name: | N-(6-{2-[(7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetamido}hexanoyl)-L-valine |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C26 H34 N2 O7 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(CCCCCNC(COc1cc(C)cc2c1C1CCCC=1C(=O)O2)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.0837 |
| logD: | -2.5034 |
| logSw: | -1.5284 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.577 |
| InChI Key: | NXZOCBSUYHEPBG-DEOSSOPVSA-N |