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

Systemtic Name: 3-methylsulfanyl-2-[2-(2,4,6-trimethylphenyl)ethanoylamino]propanoic acid Openeye Name: 3-methylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid CAS Name: 3-(methylthio)-2-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid IUPAC Name: 3-methylsulfanyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid Traditional Name: 2-[(2-mesitylacetyl)amino]-3-(methylthio)propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-9-5-10(2)12(11(3)6-9)7-14(17)16-13(8-20-4)15(18)19/h5-6,13H,7-8H2,1-4H3,(H,16,17)(H,18,19)