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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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