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

Systemtic Name: 4-ethanoylsulfanyl-2-[[2-(4-methylphenyl)ethylcarbamoylamino]methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[[2-(p-tolyl)ethylcarbamoylamino]methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[[2-(4-methylphenyl)ethylamino]-oxomethyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[[2-(4-methylphenyl)ethylcarbamoylamino]methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[[2-(p-tolyl)ethylcarbamoylamino]methyl]butyric acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)NCC(CCSC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)NCC(CCSC(=O)C)C(=O)O

InChI

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