2-[(3-methylphenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(3-methylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-(m-tolylmethylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(3-methylphenyl)methylamino]propanoic acid IUPAC Name: 2-[(3-methylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(3-methylbenzyl)amino]propionic acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(CS)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CNC(CS)C(=O)O

InChI

InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-12-10(7-15)11(13)14/h2-5,10,12,15H,6-7H2,1H3,(H,13,14)