(2S)-4-azanyl-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoate Openeye Name: (2S)-4-amino-4-oxo-2-(3-phenylpropanoylamino)butanoate CAS Name: (2S)-4-amino-4-oxo-2-[(1-oxo-3-phenylpropyl)amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-(3-phenylpropanoylamino)butanoate Traditional Name: (2S)-4-amino-2-(hydrocinnamoylamino)-4-keto-butyrate Formula: C13H15N2O4- MolecularWeight: 263.2692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c14-11(16)8-10(13(18)19)15-12(17)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t10-/m0/s1