(2S)-3-(3-methylimidazol-4-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(3-methylimidazol-4-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid Openeye Name: (2S)-3-(3-methylimidazol-4-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid CAS Name: (2S)-3-(3-methyl-4-imidazolyl)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid IUPAC Name: (2S)-3-(3-methylimidazol-4-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid Traditional Name: (2S)-3-(3-methylimidazol-4-yl)-2-[[(E)-3-phenylacryloyl]amino]propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)O)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H17N3O3/c1-19-11-17-10-13(19)9-14(16(21)22)18-15(20)8-7-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,18,20)(H,21,22)/b8-7+/t14-/m0/s1