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

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C18H22BrNO5S MolecularWeight: 444.33998

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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)Br)SC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO5S/c1-10(2)8-14(18(24)25)20-16(22)9-15(26-11(3)21)17(23)12-4-6-13(19)7-5-12/h4-7,10,14-15H,8-9H2,1-3H3,(H,20,22)(H,24,25)