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

Systemtic Name: methyl (2S)-2-acetamido-4-(2-azanyl-5-iodanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: methyl (2S)-2-acetamido-4-(2-amino-5-iodo-phenyl)-4-oxo-butanoate CAS Name: (2S)-2-acetamido-4-(2-amino-5-iodophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-4-(2-amino-5-iodophenyl)-4-oxobutanoate Traditional Name: (2S)-2-acetamido-4-(2-amino-5-iodo-phenyl)-4-keto-butyric acid methyl ester Formula: C13H15IN2O4 MolecularWeight: 390.17367

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)C1=C(C=CC(=C1)I)N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H15IN2O4/c1-7(17)16-11(13(19)20-2)6-12(18)9-5-8(14)3-4-10(9)15/h3-5,11H,6,15H2,1-2H3,(H,16,17)/t11-/m0/s1