[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C15H19BrN2O4 MolecularWeight: 371.22636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C15H19BrN2O4/c1-9(2)13(15(21)22-8-12(19)17-3)18-14(20)10-4-6-11(16)7-5-10/h4-7,9,13H,8H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1