[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (3S)-1-[2-[(1S)-1-methylpropyl]phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-3-pyrrolidinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (3S)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[2-[(1S)-1-methylpropyl]phenyl]pyrrolidine-3-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C21H25N3O4/c1-4-13(2)16-7-5-6-8-18(16)24-11-15(9-20(24)26)21(27)28-12-19(25)17(10-22)14(3)23/h5-8,13,15,17,23H,4,9,11-12H2,1-3H3/t13-,15-,17-/m0/s1