(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C20H19N3O5/c1-13(22)15(11-21)17(24)12-28-20(26)16(10-14-6-3-2-4-7-14)23-19(25)18-8-5-9-27-18/h2-9,15-16,22H,10,12H2,1H3,(H,23,25)/t15?,16-/m0/s1