2-(1-phenylpropylamino)-3-sulfanyl-propanoic acid

Systemtic Name: 2-(1-phenylpropylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(1-phenylpropylamino)-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(1-phenylpropylamino)propanoic acid IUPAC Name: 2-(1-phenylpropylamino)-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-(1-phenylpropylamino)propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(CS)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(CS)C(=O)O

InChI

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