Alanylethionine

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

Alanylethionine N-Dealkylation prediction

Generation 1

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCSCCC(NC(=O)C(C)=O)C(=O)O stable oxygenation prediction

CCSCCC(NC(=O)C(C)=O)C(=O)O unstable oxygenation prediction

CCSCCC(NC(=O)C(C)=O)C(=O)O dehydrogenation prediction

CCSCCC(NC(=O)C(C)=O)C(=O)O reduction prediction

CCSCCC(NC(=O)C(C)=O)C(=O)O hydrolysis prediction

Generation 2

dehydration · 0.46

Phase 1 Reactivity Epoxidation Quinonation N-Dealkylation UGT Conjugation

CCSCCC(NC(=O)CC)C(=O)O