(2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate Openeye Name: (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(E)-3-phenylacryloyl]amino]valerate Formula: C15H18NO3- MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-11(2)10-13(15(18)19)16-14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3,(H,16,17)(H,18,19)/p-1/b9-8+/t13-/m0/s1