methyl 3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate

Systemtic Name: methyl 3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]propanoate Openeye Name: methyl 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoate CAS Name: 3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propionic acid methyl ester Formula: C28H25I4N3O8 MolecularWeight: 1039.13128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H25I4N3O8/c1-41-27(39)22(35-24(37)13-33-23(36)12-34-28(40)42-14-15-5-3-2-4-6-15)9-16-7-20(31)26(21(32)8-16)43-17-10-18(29)25(38)19(30)11-17/h2-8,10-11,22,38H,9,12-14H2,1H3,(H,33,36)(H,34,40)(H,35,37)