[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC#C)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H18N2O4/c1-3-11-18-16(21)12-23-17(22)13(2)19-15(20)10-9-14-7-5-4-6-8-14/h1,4-10,13H,11-12H2,2H3,(H,18,21)(H,19,20)/b10-9+/t13-/m0/s1