[3-acetyloxy-2-[[3-[2-acetyloxypropanoyl(ethanoyl)amino]-5-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[[3-[2-acetyloxypropanoyl(ethanoyl)amino]-5-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate Openeye Name: [3-acetoxy-2-[[3-[[2-acetoxy-1-(acetoxymethyl)ethyl]carbamoyl]-5-[2-acetoxypropanoyl(acetyl)amino]-2,4,6-triiodo-benzoyl]amino]propyl] acetate CAS Name: acetic acid [2-[[[3-[acetyl-(2-acetyloxy-1-oxopropyl)amino]-5-[(1,3-diacetyloxypropan-2-ylamino)-oxomethyl]-2,4,6-triiodophenyl]-oxomethyl]amino]-3-acetyloxypropyl] ester IUPAC Name: [2-[[3-[acetyl(2-acetyloxypropanoyl)amino]-5-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-triiodobenzoyl]amino]-3-acetyloxypropyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[[3-[[2-acetoxy-1-(acetoxymethyl)ethyl]carbamoyl]-5-[2-acetoxypropanoyl(acetyl)amino]-2,4,6-triiodo-benzoyl]amino]propyl] ester Formula: C29H34I3N3O14 MolecularWeight: 1029.30537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=C(C(=C(C(=C1I)C(=O)NC(COC(=O)C)COC(=O)C)I)C(=O)NC(COC(=O)C)COC(=O)C)I)C(=O)C)OC(=O)C

Isomeric SMILES

CC(C(=O)N(C1=C(C(=C(C(=C1I)C(=O)NC(COC(=O)C)COC(=O)C)I)C(=O)NC(COC(=O)C)COC(=O)C)I)C(=O)C)OC(=O)C

InChI

InChI=1S/C29H34I3N3O14/c1-12(49-18(7)41)29(44)35(13(2)36)26-24(31)21(27(42)33-19(8-45-14(3)37)9-46-15(4)38)23(30)22(25(26)32)28(43)34-20(10-47-16(5)39)11-48-17(6)40/h12,19-20H,8-11H2,1-7H3,(H,33,42)(H,34,43)