3-[[3-aminocarbonyl-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-aminocarbonyl-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propionic acid Formula: C14H14I3N3O6 MolecularWeight: 700.99087

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)N)I

Isomeric SMILES

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)N)I

InChI

InChI=1S/C14H14I3N3O6/c1-26-4-5(21)20-12-10(16)7(13(18)24)9(15)8(11(12)17)14(25)19-3-2-6(22)23/h2-4H2,1H3,(H2,18,24)(H,19,25)(H,20,21)(H,22,23)