4-ethanoylsulfanyl-2-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[[2-(4-methoxyphenyl)ethylcarbamoylamino]methyl]butyric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C17H24N2O5S/c1-12(20)25-10-8-14(16(21)22)11-19-17(23)18-9-7-13-3-5-15(24-2)6-4-13/h3-6,14H,7-11H2,1-2H3,(H,21,22)(H2,18,19,23)