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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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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=C1Br

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)[C@H](C#N)C(=N)C)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C18H20BrN3O4/c1-10(2)16(22-17(24)12-6-4-5-7-14(12)19)18(25)26-9-15(23)13(8-20)11(3)21/h4-7,10,13,16,21H,9H2,1-3H3,(H,22,24)/t13-,16-/m1/s1