[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C20H20FN3O5 MolecularWeight: 401.388303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=C(C=C(C=C1)NC(=O)C)F)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=C(C=C(C=C1)NC(=O)C)F)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H20FN3O5/c1-12(22-20(28)24-14-6-4-3-5-7-14)19(27)29-11-18(26)16-9-8-15(10-17(16)21)23-13(2)25/h3-10,12H,11H2,1-2H3,(H,23,25)(H2,22,24,28)/t12-/m0/s1