2-(3-phenylpropanoylamino)-4-sulfanyl-butanoic acid

Systemtic Name: 2-(3-phenylpropanoylamino)-4-sulfanyl-butanoic acid Openeye Name: 2-(3-phenylpropanoylamino)-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[(1-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 2-(3-phenylpropanoylamino)-4-sulfanylbutanoic acid Traditional Name: 2-(hydrocinnamoylamino)-4-mercapto-butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c15-12(14-11(8-9-18)13(16)17)7-6-10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,14,15)(H,16,17)