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

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[4-(2-methylpropanoylamino)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-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-13(2)19(24-21(27)18-6-5-11-29-18)22(28)30-12-17(25)15-7-9-16(10-8-15)23-20(26)14(3)4/h5-11,13-14,19H,12H2,1-4H3,(H,23,26)(H,24,27)/t19-/m0/s1