2-[(5-iodanyl-2-oxidanyl-phenyl)methyl]-3-[(4-pyridin-3-ylphenyl)carbonylamino]propanoic acid

Systemtic Name: 2-[(5-iodanyl-2-oxidanyl-phenyl)methyl]-3-[(4-pyridin-3-ylphenyl)carbonylamino]propanoic acid Openeye Name: 2-[(2-hydroxy-5-iodo-phenyl)methyl]-3-[[4-(3-pyridyl)benzoyl]amino]propanoic acid CAS Name: 2-[(2-hydroxy-5-iodophenyl)methyl]-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 2-[(2-hydroxy-5-iodophenyl)methyl]-3-[(4-pyridin-3-ylbenzoyl)amino]propanoic acid Traditional Name: 2-(2-hydroxy-5-iodo-benzyl)-3-[[4-(3-pyridyl)benzoyl]amino]propionic acid Formula: C22H19IN2O4 MolecularWeight: 502.30173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)NCC(CC3=C(C=CC(=C3)I)O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)NCC(CC3=C(C=CC(=C3)I)O)C(=O)O

InChI

InChI=1S/C22H19IN2O4/c23-19-7-8-20(26)17(11-19)10-18(22(28)29)13-25-21(27)15-5-3-14(4-6-15)16-2-1-9-24-12-16/h1-9,11-12,18,26H,10,13H2,(H,25,27)(H,28,29)