2-(2-ethanoylsulfanylethyl)-3-methyl-3-(phenethylcarbamoylamino)butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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