tert-butyl 1-[2-methyl-3-(1-phenylhexadecylsulfanyl)propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-methyl-3-(1-phenylhexadecylsulfanyl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-methyl-3-(1-phenylhexadecylsulfanyl)propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-methyl-1-oxo-3-(1-phenylhexadecylthio)propyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-methyl-3-(1-phenylhexadecylsulfanyl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-methyl-3-(1-phenylhexadecylthio)propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C35H59NO3S MolecularWeight: 573.91286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C1=CC=CC=C1)SCC(C)C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(C1=CC=CC=C1)SCC(C)C(=O)N2CCCC2C(=O)OC(C)(C)C

InChI

InChI=1S/C35H59NO3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-26-32(30-23-19-18-20-24-30)40-28-29(2)33(37)36-27-22-25-31(36)34(38)39-35(3,4)5/h18-20,23-24,29,31-32H,6-17,21-22,25-28H2,1-5H3