(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO4/c1-11(2)15(17(23)24-10-14(21)18(3,4)5)20-16(22)12-6-8-13(19)9-7-12/h6-9,11,15H,10H2,1-5H3,(H,20,22)/t15-/m0/s1