[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H26BrN3O5 MolecularWeight: 504.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O5/c1-13(2)20(27-22(30)18-7-5-6-8-19(18)24)23(31)32-14(3)21(29)26-17-11-9-16(10-12-17)25-15(4)28/h5-14,20H,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t14?,20-/m0/s1