2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-3-methyl-butyric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC(C(C)C)C(=O)O)C

InChI

InChI=1S/C16H23NO3S/c1-10(2)15(16(19)20)17-14(18)7-8-21-13-6-5-11(3)12(4)9-13/h5-6,9-10,15H,7-8H2,1-4H3,(H,17,18)(H,19,20)