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

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)CCNC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-12(16(23)20-17(24)18-2)25-15(22)10-11-19-14(21)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H2,18,20,23,24)/b9-8+/t12-/m0/s1