[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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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(=CC(=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6/c1-11(2)18(20(26)29-10-17(24)16(9-21)12(3)22)23-19(25)13-6-14(27-4)8-15(7-13)28-5/h6-8,11,16,18,22H,10H2,1-5H3,(H,23,25)/t16-,18-/m1/s1