(4-acetamidophenyl) 2-[[(2S)-3-methyl-2-(trifluoromethyloxycarbonylamino)butanoyl]amino]ethanoate

Systemtic Name: (4-acetamidophenyl) 2-[[(2S)-3-methyl-2-(trifluoromethyloxycarbonylamino)butanoyl]amino]ethanoate Openeye Name: (4-acetamidophenyl) 2-[[(2S)-3-methyl-2-(trifluoromethoxycarbonylamino)butanoyl]amino]acetate CAS Name: 2-[[(2S)-3-methyl-1-oxo-2-[[oxo(trifluoromethoxy)methyl]amino]butyl]amino]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[[(2S)-3-methyl-2-(trifluoromethoxycarbonylamino)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-3-methyl-2-(trifluoromethoxycarbonylamino)butanoyl]amino]acetic acid (4-acetamidophenyl) ester Formula: C17H20F3N3O6 MolecularWeight: 419.35241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)OC1=CC=C(C=C1)NC(=O)C)NC(=O)OC(F)(F)F

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(=O)OC1=CC=C(C=C1)NC(=O)C)NC(=O)OC(F)(F)F

InChI

InChI=1S/C17H20F3N3O6/c1-9(2)14(23-16(27)29-17(18,19)20)15(26)21-8-13(25)28-12-6-4-11(5-7-12)22-10(3)24/h4-7,9,14H,8H2,1-3H3,(H,21,26)(H,22,24)(H,23,27)/t14-/m0/s1