2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C19H24FNO6S MolecularWeight: 413.460363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)OC)F)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CC(C(=O)C1=CC(=C(C=C1)OC)F)SC(=O)C

InChI

InChI=1S/C19H24FNO6S/c1-10(2)7-14(19(25)26)21-17(23)9-16(28-11(3)22)18(24)12-5-6-15(27-4)13(20)8-12/h5-6,8,10,14,16H,7,9H2,1-4H3,(H,21,23)(H,25,26)