4-[(N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl)amino]butanoic acid
Chemical Structure Depiction of
4-[(N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl)amino]butanoic acid
4-[(N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl)amino]butanoic acid
Compound characteristics
| Compound ID: | Y040-8496 |
| Compound Name: | 4-[(N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-L-methionyl)amino]butanoic acid |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C25 H32 N2 O7 S |
| Smiles: | Cc1c(ccc2C3CCCCC=3C(=O)Oc12)OCC(N[C@@H](CCSC)C(NCCCC(O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.459 |
| logD: | -0.3618 |
| logSw: | -3.0243 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.363 |
| InChI Key: | KCQIVKQDDMAZTL-IBGZPJMESA-N |