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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(CS)C(=O)O

InChI

InChI=1S/C12H17NO2S/c14-12(15)11(9-16)13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13,16H,4,7-9H2,(H,14,15)