2-[[3-azanyl-2,4,5,6-tetrakis(iodanyl)phenyl]carbonyl-propan-2-yl-amino]propanoic acid

Systemtic Name: 2-[[3-azanyl-2,4,5,6-tetrakis(iodanyl)phenyl]carbonyl-propan-2-yl-amino]propanoic acid Openeye Name: 2-[(3-amino-2,4,5,6-tetraiodo-benzoyl)-isopropyl-amino]propanoic acid CAS Name: 2-[[(3-amino-2,4,5,6-tetraiodophenyl)-oxomethyl]-propan-2-ylamino]propanoic acid IUPAC Name: 2-[(3-amino-2,4,5,6-tetraiodobenzoyl)-propan-2-ylamino]propanoic acid Traditional Name: 2-[(3-amino-2,4,5,6-tetraiodo-benzoyl)-isopropyl-amino]propionic acid Formula: C13H14I4N2O3 MolecularWeight: 753.87974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)I)N)I

Isomeric SMILES

CC(C)N(C(C)C(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)I)N)I

InChI

InChI=1S/C13H14I4N2O3/c1-4(2)19(5(3)13(21)22)12(20)6-7(14)9(16)10(17)11(18)8(6)15/h4-5H,18H2,1-3H3,(H,21,22)