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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]amino]-4-methyl-valeric acid Formula: C19H25NO6S MolecularWeight: 395.4699

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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)SC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6S/c1-11(2)9-15(19(24)25)20-17(22)10-16(27-12(3)21)18(23)13-5-7-14(26-4)8-6-13/h5-8,11,15-16H,9-10H2,1-4H3,(H,20,22)(H,24,25)