tert-butyl 1-(2-acetamido-3-ethanoylsulfanyl-3-methyl-butanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-(2-acetamido-3-ethanoylsulfanyl-3-methyl-butanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-(2-acetamido-3-acetylsulfanyl-3-methyl-butanoyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-acetamido-3-(acetylthio)-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-acetamido-3-acetylsulfanyl-3-methylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-acetamido-3-(acetylthio)-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C18H30N2O5S MolecularWeight: 386.5062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(C)(C)SC(=O)C

Isomeric SMILES

CC(=O)NC(C(=O)N1CCCC1C(=O)OC(C)(C)C)C(C)(C)SC(=O)C

InChI

InChI=1S/C18H30N2O5S/c1-11(21)19-14(18(6,7)26-12(2)22)15(23)20-10-8-9-13(20)16(24)25-17(3,4)5/h13-14H,8-10H2,1-7H3,(H,19,21)