S-benzyl-N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine
Chemical Structure Depiction of
S-benzyl-N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine
S-benzyl-N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine
Compound characteristics
| Compound ID: | Y041-2121 |
| Compound Name: | S-benzyl-N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-D-cysteine |
| Molecular Weight: | 533.64 |
| Molecular Formula: | C30 H31 N O6 S |
| Smiles: | CC1=C(CCC(N[C@H](CSCc2ccccc2)C(O)=O)=O)C(=O)Oc2c1cc1c3CCCCc3oc1c2C |
| Stereo: | ABSOLUTE |
| logP: | 4.2943 |
| logD: | -0.0606 |
| logSw: | -4.4084 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.431 |
| InChI Key: | KQXAXHRHXDYQDJ-DEOSSOPVSA-N |