[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4/c1-15(22-19(24)14-13-17-9-5-3-6-10-17)21(26)27-16(2)20(25)23-18-11-7-4-8-12-18/h3-16H,1-2H3,(H,22,24)(H,23,25)/b14-13+/t15-,16-/m0/s1