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

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C22H23BrN2O5 MolecularWeight: 475.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C22H23BrN2O5/c1-13(2)20(25-21(28)17-9-4-5-10-18(17)23)22(29)30-12-19(27)24-16-8-6-7-15(11-16)14(3)26/h4-11,13,20H,12H2,1-3H3,(H,24,27)(H,25,28)/t20-/m0/s1