3-((2-(4-Pyridyl)ethyl)thio)-DL-valine
2-amino-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid
Also Known As: 4-PEP|3-((2-(4-Pyridyl)ethyl)thio)-DL-valine|EINECS 254-504-2|H-DL-Pen(4-pyridylethyl)-OH|S-beta-(4-Pyridylethyl)-DL-penicillamine|S-BETA- -DL-PENICILLAMINE|2-amino-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid|DL-Valine, 3-((2-(4-pyridinyl)ethyl)thio)-|3-{[2-(pyridin-4-yl)ethyl]sulfanyl}valine|S-[2-(4-Pyridyl)ethyl]-DL-penicillamine|3-[[2-(4-pyridyl)ethyl]thio]-DL-valine|2-amino-3-methyl-3-(2-(4-pyridyl)ethylthio)butanoic acid|2-amino-3-methyl-3-((2-(pyridin-4-yl)ethyl)thio)butanoic acid
| Molecular Formula | C12H18N2O2S |
|---|---|
| Molecular Weight | 254.1089 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.1089 |
| Monoisotopic Mass | 254.1089 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 39555-40-3 |
|---|---|
| SMILES | CC(C)(C(C(=O)O)N)SCCC1=CC=NC=C1 |
| InChIKey | FTTQQYAWBJGECY-UHFFFAOYSA-N |
Product Overview
3-((2-(4-Pyridyl)ethyl)thio)-DL-valine (CAS 39555-40-3), with molecular formula C12H18N2O2S and molecular weight 254.1089 g/mol. IUPAC: 2-amino-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid.
3-((2-(4-Pyridyl)ethyl)thio)-DL-valine is a custom synthesis product. We offer services from milligram to kilogram scale.
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