(4-acetamidophenyl) (2S)-3-phenyl-2-[2-(trifluoromethyloxycarbonylamino)ethanoylamino]propanoate

Systemtic Name: (4-acetamidophenyl) (2S)-3-phenyl-2-[2-(trifluoromethyloxycarbonylamino)ethanoylamino]propanoate Openeye Name: (4-acetamidophenyl) (2S)-3-phenyl-2-[[2-(trifluoromethoxycarbonylamino)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[[oxo(trifluoromethoxy)methyl]amino]ethyl]amino]-3-phenylpropanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) (2S)-3-phenyl-2-[[2-(trifluoromethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(trifluoromethoxycarbonylamino)acetyl]amino]propionic acid (4-acetamidophenyl) ester Formula: C21H20F3N3O6 MolecularWeight: 467.39521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O6/c1-13(28)26-15-7-9-16(10-8-15)32-19(30)17(11-14-5-3-2-4-6-14)27-18(29)12-25-20(31)33-21(22,23)24/h2-10,17H,11-12H2,1H3,(H,25,31)(H,26,28)(H,27,29)/t17-/m0/s1