(2S)-3-methyl-2-(3-phenylprop-2-ynoylamino)butanoate

Systemtic Name: (2S)-3-methyl-2-(3-phenylprop-2-ynoylamino)butanoate Openeye Name: (2S)-3-methyl-2-(3-phenylprop-2-ynoylamino)butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-3-phenylprop-2-ynyl)amino]butanoate IUPAC Name: (2S)-3-methyl-2-(3-phenylprop-2-ynoylamino)butanoate Traditional Name: (2S)-3-methyl-2-[(3-phenylpropioloyl)amino]butyrate Formula: C14H14NO3- MolecularWeight: 244.26586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C#CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-10(2)13(14(17)18)15-12(16)9-8-11-6-4-3-5-7-11/h3-7,10,13H,1-2H3,(H,15,16)(H,17,18)/p-1/t13-/m0/s1