S-benzyl-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-cysteine
Chemical Structure Depiction of
S-benzyl-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-cysteine
S-benzyl-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-cysteine
Compound characteristics
| Compound ID: | Y041-2108 |
| Compound Name: | S-benzyl-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]-D-cysteine |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H25 N O6 S |
| Smiles: | CC1=C(CCC(N[C@H](CSCc2ccccc2)C(O)=O)=O)C(=O)Oc2c1ccc(c2C)O |
| Stereo: | ABSOLUTE |
| logP: | 2.4749 |
| logD: | -1.88 |
| logSw: | -2.9713 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.631 |
| InChI Key: | SKIXMKPOJFKOBJ-IBGZPJMESA-N |