[(1R)-1-cyanoethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [(1R)-1-cyanoethyl] ester Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C#N)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3/c1-9(2)13(15(20)21-10(3)8-17)18-14(19)11-6-4-5-7-12(11)16/h4-7,9-10,13H,1-3H3,(H,18,19)/t10-,13+/m1/s1