N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan
Chemical Structure Depiction of
N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan
N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan
Compound characteristics
| Compound ID: | Y042-8569 |
| Compound Name: | N-{[(3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-L-tryptophan |
| Molecular Weight: | 510.55 |
| Molecular Formula: | C30 H26 N2 O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OCC(N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5314 |
| logD: | -0.0592 |
| logSw: | -3.8188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.497 |
| InChI Key: | KCNFGXYFRIZDKE-SANMLTNESA-N |