3-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-9(2)12(14(17)18)15-13(16)11-6-4-5-10(7-11)8-19-3/h4-7,9,12H,8H2,1-3H3,(H,15,16)(H,17,18)