benzyl 1-acetyl-beta-(benzylsulfanyl)-N-hydroxytryptophanate
Chemical Structure Depiction of
benzyl 1-acetyl-beta-(benzylsulfanyl)-N-hydroxytryptophanate
benzyl 1-acetyl-beta-(benzylsulfanyl)-N-hydroxytryptophanate
Compound characteristics
| Compound ID: | 0167-0091 |
| Compound Name: | benzyl 1-acetyl-beta-(benzylsulfanyl)-N-hydroxytryptophanate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CC(n1cc(C(C(C(=O)OCc2ccccc2)NO)SCc2ccccc2)c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2841 |
| logD: | 4.284 |
| logSw: | -4.2576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.372 |
| InChI Key: | DNWGJDISEKOIDS-UHFFFAOYSA-N |