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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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