[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=C(C=C(C=C1)NC(=O)C)F)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=C(C=C(C=C1)NC(=O)C)F)NC(=O)C2=CC=CO2

InChI

InChI=1S/C20H21FN2O6/c1-11(2)18(23-19(26)17-5-4-8-28-17)20(27)29-10-16(25)14-7-6-13(9-15(14)21)22-12(3)24/h4-9,11,18H,10H2,1-3H3,(H,22,24)(H,23,26)/t18-/m0/s1