3-[(4-azanyl-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(4-azanyl-5-iodanyl-2-oxidanyl-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(4-amino-2-hydroxy-5-iodanyl-benzoyl)amino]propanoic acid CAS Name: 3-[[(4-amino-2-hydroxy-5-iodanylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-amino-2-hydroxy-5-iodanylbenzoyl)amino]propanoic acid Traditional Name: 3-[(4-amino-2-hydroxy-5-iodanyl-benzoyl)amino]propionic acid Formula: C10H11IN2O4 MolecularWeight: 348.109964

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1I)N)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1[125I])N)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C10H11IN2O4/c11-6-3-5(8(14)4-7(6)12)10(17)13-2-1-9(15)16/h3-4,14H,1-2,12H2,(H,13,17)(H,15,16)/i11-2