3-[[4-(2,5-dimethyl-4-methylsulfanyl-phenyl)-1-oxidanyl-4-oxidanylidene-butyl]amino]propanoic acid

Systemtic Name: 3-[[4-(2,5-dimethyl-4-methylsulfanyl-phenyl)-1-oxidanyl-4-oxidanylidene-butyl]amino]propanoic acid Openeye Name: 3-[[4-(2,5-dimethyl-4-methylsulfanyl-phenyl)-1-hydroxy-4-oxo-butyl]amino]propanoic acid CAS Name: 3-[[4-[2,5-dimethyl-4-(methylthio)phenyl]-1-hydroxy-4-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[4-(2,5-dimethyl-4-methylsulfanylphenyl)-1-hydroxy-4-oxobutyl]amino]propanoic acid Traditional Name: 3-[[4-[2,5-dimethyl-4-(methylthio)phenyl]-1-hydroxy-4-keto-butyl]amino]propionic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CCC(NCCC(=O)O)O)C)SC

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CCC(NCCC(=O)O)O)C)SC

InChI

InChI=1S/C16H23NO4S/c1-10-9-14(22-3)11(2)8-12(10)13(18)4-5-15(19)17-7-6-16(20)21/h8-9,15,17,19H,4-7H2,1-3H3,(H,20,21)