4-ethanoylsulfanyl-2-[3-(phenethylcarbamoylamino)phenyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[3-(phenethylcarbamoylamino)phenyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[3-(phenethylcarbamoylamino)phenyl]butanoic acid CAS Name: 4-(acetylthio)-2-[3-[[oxo-(phenethylamino)methyl]amino]phenyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[3-(phenethylcarbamoylamino)phenyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[3-(phenethylcarbamoylamino)phenyl]butyric acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C1=CC(=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(C1=CC(=CC=C1)NC(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-15(24)28-13-11-19(20(25)26)17-8-5-9-18(14-17)23-21(27)22-12-10-16-6-3-2-4-7-16/h2-9,14,19H,10-13H2,1H3,(H,25,26)(H2,22,23,27)