tert-butyl (3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonyloxyethyl)amino]-4-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonyloxyethyl)amino]-4-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-[tert-butoxycarbonyl(2-methylsulfonyloxyethyl)amino]-4-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-methylsulfonyloxyethyl)amino]-4-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonyloxyethyl)amino]-4-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-[tert-butoxycarbonyl(2-methylsulfonyloxyethyl)amino]-4-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H36N2O7S2 MolecularWeight: 516.67114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)SC2=CC=CC=C2)N(CCOS(=O)(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)SC2=CC=CC=C2)N(CCOS(=O)(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N2O7S2/c1-22(2,3)31-20(26)24-15-18(19(16-24)33-17-11-9-8-10-12-17)25(13-14-30-34(7,28)29)21(27)32-23(4,5)6/h8-12,18-19H,13-16H2,1-7H3/t18-,19-/m0/s1