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

Systemtic Name: 4-ethanoylsulfanyl-2-[[2-(4-phenylphenyl)ethylcarbamoylamino]methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[[2-(4-phenylphenyl)ethylcarbamoylamino]methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[oxo-[2-(4-phenylphenyl)ethylamino]methyl]amino]methyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[[2-(4-phenylphenyl)ethylcarbamoylamino]methyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[[2-(4-phenylphenyl)ethylcarbamoylamino]methyl]butyric acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CNC(=O)NCCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(CNC(=O)NCCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H26N2O4S/c1-16(25)29-14-12-20(21(26)27)15-24-22(28)23-13-11-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-10,20H,11-15H2,1H3,(H,26,27)(H2,23,24,28)