6-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]hexanoic acid CAS Name: 6-amino-2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]hexanoic acid Traditional Name: 6-amino-2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]hexanoic acid Formula: C17H21I3N4O5 MolecularWeight: 742.08585

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CCCCN)C(=O)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CCCCN)C(=O)O)I)NC(=O)C)I

InChI

InChI=1S/C17H21I3N4O5/c1-7(25)22-14-11(18)10(12(19)15(13(14)20)23-8(2)26)16(27)24-9(17(28)29)5-3-4-6-21/h9H,3-6,21H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)