(2S)-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-[3,5-bis(iodanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid CAS Name: (2S)-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid Formula: C20H20I3NO6 MolecularWeight: 751.08931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)O)I)I)C(=O)O

InChI

InChI=1S/C20H20I3NO6/c1-20(2,3)30-19(28)24-15(18(26)27)8-10-6-13(22)17(14(23)7-10)29-11-4-5-16(25)12(21)9-11/h4-7,9,15,25H,8H2,1-3H3,(H,24,28)(H,26,27)/t15-/m0/s1