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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-fluorophenyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-fluorophenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-fluorophenyl)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H20FNO5S/c1-13(24)29-18(20(26)15-7-9-16(22)10-8-15)12-19(25)23-17(21(27)28)11-14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3,(H,23,25)(H,27,28)