4-methylsulfanyl-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]butanoic acid Traditional Name: 2-[(2-mesitylacetyl)amino]-4-(methylthio)butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-10-7-11(2)13(12(3)8-10)9-15(18)17-14(16(19)20)5-6-21-4/h7-8,14H,5-6,9H2,1-4H3,(H,17,18)(H,19,20)