2-[[2-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]acetic acid CAS Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]acetic acid Formula: C13H14I2N2O5 MolecularWeight: 532.0696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCC(=O)O

InChI

InChI=1S/C13H14I2N2O5/c1-6(18)17-10(13(22)16-5-11(19)20)4-7-2-8(14)12(21)9(15)3-7/h2-3,10,21H,4-5H2,1H3,(H,16,22)(H,17,18)(H,19,20)