RefMet Compound Details
MW structure | 42622 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | Nelfinavir | |
Systematic name | (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide | |
SMILES | Cc1c(cccc1O)C(=O)N[C@@H](CSc1ccccc1)[C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 567.313078 (neutral) |