tert-butyl 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[2-ethanoylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 2-[[[2-(acetylthio)ethyl-phenethylamino]-oxomethyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-acetylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(acetylthio)ethyl-phenethyl-carbamoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NC(=O)N(CCC1=CC=CC=C1)CCSC(=O)C

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)NC(=O)N(CCC1=CC=CC=C1)CCSC(=O)C

InChI

InChI=1S/C22H34N2O4S/c1-16(2)19(20(26)28-22(4,5)6)23-21(27)24(14-15-29-17(3)25)13-12-18-10-8-7-9-11-18/h7-11,16,19H,12-15H2,1-6H3,(H,23,27)