[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] (2R)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] (2R)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] (2R)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(2-furoylamino)-3-methyl-butyric acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C#N)C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C(C#N)C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H20N4O5/c1-12(2)18(25-20(27)17-8-5-9-29-17)21(28)30-11-16(26)13(10-22)19-23-14-6-3-4-7-15(14)24-19/h3-9,12-13,18H,11H2,1-2H3,(H,23,24)(H,25,27)/t13?,18-/m1/s1