2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C17H20BrNO5S MolecularWeight: 430.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO5S/c1-9(2)15(17(23)24)19-14(21)8-13(25-10(3)20)16(22)11-4-6-12(18)7-5-11/h4-7,9,13,15H,8H2,1-3H3,(H,19,21)(H,23,24)