[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O4/c1-14(2)20(25-19(26)13-16-7-5-4-6-8-16)22(28)29-15(3)21(27)24-18-11-9-17(23)10-12-18/h4-12,14-15,20H,13H2,1-3H3,(H,24,27)(H,25,26)/t15?,20-/m0/s1