2-ethanoylsulfanylethyl 3-(phenethylcarbamoylamino)butanoate

Systemtic Name: 2-ethanoylsulfanylethyl 3-(phenethylcarbamoylamino)butanoate Openeye Name: 2-acetylsulfanylethyl 3-(phenethylcarbamoylamino)butanoate CAS Name: 3-[[oxo-(phenethylamino)methyl]amino]butanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl 3-(phenethylcarbamoylamino)butanoate Traditional Name: 3-(phenethylcarbamoylamino)butyric acid 2-(acetylthio)ethyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-13(12-16(21)23-10-11-24-14(2)20)19-17(22)18-9-8-15-6-4-3-5-7-15/h3-7,13H,8-12H2,1-2H3,(H2,18,19,22)