methyl (2S)-2-acetamido-4-(2-azanyl-3-bromanyl-5-iodanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl (2S)-2-acetamido-4-(2-azanyl-3-bromanyl-5-iodanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl (2S)-2-acetamido-4-(2-amino-3-bromo-5-iodo-phenyl)-4-oxo-butanoate CAS Name: (2S)-2-acetamido-4-(2-amino-3-bromo-5-iodophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-4-(2-amino-3-bromo-5-iodophenyl)-4-oxobutanoate Traditional Name: (2S)-2-acetamido-4-(2-amino-3-bromo-5-iodo-phenyl)-4-keto-butyric acid methyl ester Formula: C13H14BrIN2O4 MolecularWeight: 469.06973

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)C1=CC(=CC(=C1N)Br)I)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)C1=CC(=CC(=C1N)Br)I)C(=O)OC

InChI

InChI=1S/C13H14BrIN2O4/c1-6(18)17-10(13(20)21-2)5-11(19)8-3-7(15)4-9(14)12(8)16/h3-4,10H,5,16H2,1-2H3,(H,17,18)/t10-/m0/s1