tert-butyl (2S,4S)-2-[[(2-methylpropan-2-yl)oxycarbonyl-(methylsulfamoyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-[[(2-methylpropan-2-yl)oxycarbonyl-(methylsulfamoyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-[[tert-butoxycarbonyl(methylsulfamoyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-(methylsulfamoyl)amino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-[[(2-methylpropan-2-yl)oxycarbonyl-(methylsulfamoyl)amino]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[[tert-butoxycarbonyl(methylsulfamoyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H31N3O6S2 MolecularWeight: 425.56384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CN(C(=O)OC(C)(C)C)S(=O)(=O)NC)S

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CN(C(=O)OC(C)(C)C)S(=O)(=O)NC)S

InChI

InChI=1S/C16H31N3O6S2/c1-15(2,3)24-13(20)18-10-12(26)8-11(18)9-19(27(22,23)17-7)14(21)25-16(4,5)6/h11-12,17,26H,8-10H2,1-7H3/t11-,12-/m0/s1