(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C1=CC=CC=C1)C(=O)N)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C1=CC=CC=C1)C(=O)N)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H21BrN2O4/c1-12(2)16(23-19(25)14-10-6-7-11-15(14)21)20(26)27-17(18(22)24)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3,(H2,22,24)(H,23,25)/t16-,17?/m0/s1