(2S)-4-methylsulfanyl-2-(3-phenylprop-2-ynoylamino)butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-(3-phenylprop-2-ynoylamino)butanoic acid Openeye Name: (2S)-4-methylsulfanyl-2-(3-phenylprop-2-ynoylamino)butanoic acid CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-(3-phenylprop-2-ynoylamino)butanoic acid Traditional Name: (2S)-4-(methylthio)-2-[(3-phenylpropioloyl)amino]butyric acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C#CC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C14H15NO3S/c1-19-10-9-12(14(17)18)15-13(16)8-7-11-5-3-2-4-6-11/h2-6,12H,9-10H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1