4-ethanoylsulfanyl-2-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[[[(E)-cinnamyl]carbamoylamino]methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[oxo-[[(E)-3-phenylprop-2-enyl]amino]methyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[[[(E)-cinnamyl]carbamoylamino]methyl]butyric acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCC=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NC/C=C/C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H22N2O4S/c1-13(20)24-11-9-15(16(21)22)12-19-17(23)18-10-5-8-14-6-3-2-4-7-14/h2-8,15H,9-12H2,1H3,(H,21,22)(H2,18,19,23)/b8-5+