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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)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)C1=CC=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-11(2)17(19(25)27-10-16(23)15(9-20)12(3)21)22-18(24)13-5-7-14(26-4)8-6-13/h5-8,11,15,17,21H,10H2,1-4H3,(H,22,24)/t15-,17-/m0/s1