4-[[2,4,6-tris(iodanyl)-3,5-bis(2-oxidanylidenepropylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2,4,6-tris(iodanyl)-3,5-bis(2-oxidanylidenepropylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[3,5-bis(acetonylamino)-2,4,6-triiodo-benzoyl]amino]butanoic acid CAS Name: 4-[[oxo-[2,4,6-triiodo-3,5-bis(2-oxopropylamino)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-[[2,4,6-triiodo-3,5-bis(2-oxopropylamino)benzoyl]amino]butanoic acid Traditional Name: 4-[[3,5-bis(acetonylamino)-2,4,6-triiodo-benzoyl]amino]butyric acid Formula: C17H20I3N3O5 MolecularWeight: 727.07121

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)NCCCC(=O)O)I)NCC(=O)C)I

Isomeric SMILES

CC(=O)CNC1=C(C(=C(C(=C1I)C(=O)NCCCC(=O)O)I)NCC(=O)C)I

InChI

InChI=1S/C17H20I3N3O5/c1-8(24)6-22-15-12(18)11(17(28)21-5-3-4-10(26)27)13(19)16(14(15)20)23-7-9(2)25/h22-23H,3-7H2,1-2H3,(H,21,28)(H,26,27)