2-ethanoylsulfanylethyl 3-methyl-3-(phenethylcarbamoylamino)butanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-methyl-3-(phenethylcarbamoylamino)butanoate Openeye Name: 2-acetylsulfanylethyl 3-methyl-3-(phenethylcarbamoylamino)butanoate CAS Name: 3-methyl-3-[[oxo-(phenethylamino)methyl]amino]butanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-methyl-3-(phenethylcarbamoylamino)butanoate Traditional Name: 3-methyl-3-(phenethylcarbamoylamino)butyric acid 2-(acetylthio)ethyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)CC(C)(C)NC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCOC(=O)CC(C)(C)NC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O4S/c1-14(21)25-12-11-24-16(22)13-18(2,3)20-17(23)19-10-9-15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3,(H2,19,20,23)