tert-butyl (3S,4S)-3-(3-methylsulfanylpropylamino)-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-(3-methylsulfanylpropylamino)-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-hydroxy-4-(3-methylsulfanylpropylamino)pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-hydroxy-4-[3-(methylthio)propylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-hydroxy-4-(3-methylsulfanylpropylamino)pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-hydroxy-4-[3-(methylthio)propylamino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C13H26N2O3S MolecularWeight: 290.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)O)NCCCSC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)NCCCSC

InChI

InChI=1S/C13H26N2O3S/c1-13(2,3)18-12(17)15-8-10(11(16)9-15)14-6-5-7-19-4/h10-11,14,16H,5-9H2,1-4H3/t10-,11-/m0/s1