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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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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)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)[C@@H](C#N)C(=N)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H23N3O5/c1-12(2)17(18(24)26-11-16(23)15(9-20)13(3)21)22-19(25)27-10-14-7-5-4-6-8-14/h4-8,12,15,17,21H,10-11H2,1-3H3,(H,22,25)/t15-,17-/m0/s1