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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-16(21(26)23-18-10-6-3-7-11-18)27-20(25)14-15-22-19(24)13-12-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,22,24)(H,23,26)/b13-12+/t16-/m0/s1