tert-butyl 1-[6-[ethanoyl(methyl)amino]-2-(ethanoylsulfanylmethyl)hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[6-[ethanoyl(methyl)amino]-2-(ethanoylsulfanylmethyl)hexanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[6-[acetyl(methyl)amino]-2-(acetylsulfanylmethyl)hexanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[6-[acetyl(methyl)amino]-2-[(acetylthio)methyl]-1-oxohexyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[6-[acetyl(methyl)amino]-2-(acetylsulfanylmethyl)hexanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[6-[acetyl(methyl)amino]-2-[(acetylthio)methyl]hexanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H36N2O5S MolecularWeight: 428.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)CCCCC(CSC(=O)C)C(=O)N1CCCC1C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(C)CCCCC(CSC(=O)C)C(=O)N1CCCC1C(=O)OC(C)(C)C

InChI

InChI=1S/C21H36N2O5S/c1-15(24)22(6)12-8-7-10-17(14-29-16(2)25)19(26)23-13-9-11-18(23)20(27)28-21(3,4)5/h17-18H,7-14H2,1-6H3