(2S,3S)-3-oxidanyl-2-(3-phenylprop-2-ynoylamino)butanoic acid

Systemtic Name: (2S,3S)-3-oxidanyl-2-(3-phenylprop-2-ynoylamino)butanoic acid Openeye Name: (2S,3S)-3-hydroxy-2-(3-phenylprop-2-ynoylamino)butanoic acid CAS Name: (2S,3S)-3-hydroxy-2-[(1-oxo-3-phenylprop-2-ynyl)amino]butanoic acid IUPAC Name: (2S,3S)-3-hydroxy-2-(3-phenylprop-2-ynoylamino)butanoic acid Traditional Name: (2S,3S)-3-hydroxy-2-[(3-phenylpropioloyl)amino]butyric acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-9(15)12(13(17)18)14-11(16)8-7-10-5-3-2-4-6-10/h2-6,9,12,15H,1H3,(H,14,16)(H,17,18)/t9-,12-/m0/s1