2-azanyl-3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3,5-dimethylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3,5-dimethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3,5-dimethylbenzyl)thio]propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(C(=O)O)N)C

InChI

InChI=1S/C12H17NO2S/c1-8-3-9(2)5-10(4-8)6-16-7-11(13)12(14)15/h3-5,11H,6-7,13H2,1-2H3,(H,14,15)