2-[4-(2-methylpropyl)phenyl]-4-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-4-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-(4-isobutylphenyl)-4-oxo-butanoic acid CAS Name: 4-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-2-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-2-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-(4-isobutylphenyl)-4-keto-butyric acid Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC(=O)NC(CCS(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CC(=O)NC(CCS(=O)C)C(=O)O)C(=O)O

InChI

InChI=1S/C19H27NO6S/c1-12(2)10-13-4-6-14(7-5-13)15(18(22)23)11-17(21)20-16(19(24)25)8-9-27(3)26/h4-7,12,15-16H,8-11H2,1-3H3,(H,20,21)(H,22,23)(H,24,25)