2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]propanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]amino]propanoic acid CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-(4-phenylphenyl)butyl]amino]propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]amino]propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-phenylphenyl)butanoyl]amino]propionic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C(=O)O)NC(=O)CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C21H21NO5S/c1-13(21(26)27)22-19(24)12-18(28-14(2)23)20(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,22,24)(H,26,27)