S-benzyl-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-cysteine
Chemical Structure Depiction of
S-benzyl-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-cysteine
S-benzyl-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-cysteine
Compound characteristics
| Compound ID: | Y041-1948 |
| Compound Name: | S-benzyl-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]acetyl}-D-cysteine |
| Molecular Weight: | 511.59 |
| Molecular Formula: | C27 H29 N O7 S |
| Smiles: | CC1=CC(=O)Oc2c3CC[C@@](C)(C)Oc3cc(c12)OCC(N[C@H](CSCc1ccccc1)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1436 |
| logD: | -1.2113 |
| logSw: | -3.6602 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.487 |
| InChI Key: | QXYBUXFLRBFIQA-IBGZPJMESA-N |