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

Systemtic Name: 2-[[2-acetamido-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-acetamido-3-(4-hydroxy-3,5-diiodo-phenyl)propanoyl]amino]-3-hydroxy-butyric acid Formula: C15H18I2N2O6 MolecularWeight: 576.12216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18I2N2O6/c1-6(20)12(15(24)25)19-14(23)11(18-7(2)21)5-8-3-9(16)13(22)10(17)4-8/h3-4,6,11-12,20,22H,5H2,1-2H3,(H,18,21)(H,19,23)(H,24,25)