methyl (2S)-2-acetamido-4-(2-acetamido-5-bromanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (2S)-2-acetamido-4-(2-acetamido-5-bromanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl (2S)-2-acetamido-4-(2-acetamido-5-bromo-phenyl)-4-oxo-butanoate CAS Name: (2S)-2-acetamido-4-(2-acetamido-5-bromophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-4-(2-acetamido-5-bromophenyl)-4-oxobutanoate Traditional Name: (2S)-2-acetamido-4-(2-acetamido-5-bromo-phenyl)-4-keto-butyric acid methyl ester Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O5/c1-8(19)17-12-5-4-10(16)6-11(12)14(21)7-13(15(22)23-3)18-9(2)20/h4-6,13H,7H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1