[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C19H28N2O5/c1-14(2)17(20-18(23)15-9-8-12-25-15)19(24)26-13-16(22)21-10-6-4-3-5-7-11-21/h8-9,12,14,17H,3-7,10-11,13H2,1-2H3,(H,20,23)/t17-/m0/s1