[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C17H22BrN3O5 MolecularWeight: 428.27768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O5/c1-9(2)13(20-15(23)11-7-5-6-8-12(11)18)16(24)26-10(3)14(22)21-17(25)19-4/h5-10,13H,1-4H3,(H,20,23)(H2,19,21,22,25)/t10?,13-/m0/s1