[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O4/c1-11(2)15(17(24)25-10-14(22)20-9-5-8-19)21-16(23)12-6-3-4-7-13(12)18/h3-4,6-7,11,15H,5,9-10H2,1-2H3,(H,20,22)(H,21,23)/t15-/m0/s1