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

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]-3-phenyl-propionic acid Formula: C20H18I3N3O5 MolecularWeight: 761.08743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CC2=CC=CC=C2)C(=O)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CC2=CC=CC=C2)C(=O)O)I)NC(=O)C)I

InChI

InChI=1S/C20H18I3N3O5/c1-9(27)24-17-14(21)13(15(22)18(16(17)23)25-10(2)28)19(29)26-12(20(30)31)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3,(H,24,27)(H,25,28)(H,26,29)(H,30,31)