[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C#N)C(=N)C)NC(=O)C1=CC=CO1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)[C@@H](C#N)C(=N)C)NC(=O)C1=CC=CO1

InChI

InChI=1S/C16H19N3O5/c1-9(2)14(19-15(21)13-5-4-6-23-13)16(22)24-8-12(20)11(7-17)10(3)18/h4-6,9,11,14,18H,8H2,1-3H3,(H,19,21)/t11-,14-/m0/s1