[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-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 [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(=O)NCC1=CC=CO1)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC(=O)NCC1=CC=CO1)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O6/c1-14(22-17(24)10-9-15-6-3-2-4-7-15)19(26)29-13-18(25)23-20(27)21-12-16-8-5-11-28-16/h2-11,14H,12-13H2,1H3,(H,22,24)(H2,21,23,25,27)/b10-9+/t14-/m0/s1