6-[(N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanyl)amino]hexanoic acid
Chemical Structure Depiction of
6-[(N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanyl)amino]hexanoic acid
6-[(N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanyl)amino]hexanoic acid
Compound characteristics
| Compound ID: | Y040-8497 |
| Compound Name: | 6-[(N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanyl)amino]hexanoic acid |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C25 H32 N2 O7 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCC(N[C@@H](C)C(NCCCCCC(O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.511 |
| logD: | -0.3172 |
| logSw: | -2.4788 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.211 |
| InChI Key: | JGMYOBHZXSNIKY-INIZCTEOSA-N |