6-azanyl-2-[[2,3,4-tris(iodanyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2,3,4-tris(iodanyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[(2,3,4-triiodobenzoyl)amino]hexanoic acid CAS Name: 6-amino-2-[[oxo-(2,3,4-triiodophenyl)methyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[(2,3,4-triiodobenzoyl)amino]hexanoic acid Traditional Name: 6-amino-2-[(2,3,4-triiodobenzoyl)amino]hexanoic acid Formula: C13H15I3N2O3 MolecularWeight: 627.98321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)NC(CCCCN)C(=O)O)I)I)I

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)NC(CCCCN)C(=O)O)I)I)I

InChI

InChI=1S/C13H15I3N2O3/c14-8-5-4-7(10(15)11(8)16)12(19)18-9(13(20)21)3-1-2-6-17/h4-5,9H,1-3,6,17H2,(H,18,19)(H,20,21)