[3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-tris(iodanyl)-5-[2-(iodanylmethyl)-5-oxidanylidene-pyrrolidin-1-yl]phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-tris(iodanyl)-5-[2-(iodanylmethyl)-5-oxidanylidene-pyrrolidin-1-yl]phenyl]carbonylamino]propyl] ethanoate Openeye Name: [3-acetoxy-2-[[3-[[2-acetoxy-1-(acetoxymethyl)ethyl]carbamoyl]-2,4,6-triiodo-5-[2-(iodomethyl)-5-oxo-pyrrolidin-1-yl]benzoyl]amino]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[[[3-[(1,3-diacetyloxypropan-2-ylamino)-oxomethyl]-2,4,6-triiodo-5-[2-(iodomethyl)-5-oxo-1-pyrrolidinyl]phenyl]-oxomethyl]amino]propyl] ester IUPAC Name: [3-acetyloxy-2-[[3-(1,3-diacetyloxypropan-2-ylcarbamoyl)-2,4,6-triiodo-5-[2-(iodomethyl)-5-oxopyrrolidin-1-yl]benzoyl]amino]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[[3-[[2-acetoxy-1-(acetoxymethyl)ethyl]carbamoyl]-2,4,6-triiodo-5-[2-(iodomethyl)-5-keto-pyrrolidino]benzoyl]amino]propyl] ester Formula: C27H31I4N3O11 MolecularWeight: 1081.16642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)NC(=O)C1=C(C(=C(C(=C1I)N2C(CCC2=O)CI)I)C(=O)NC(COC(=O)C)COC(=O)C)I

Isomeric SMILES

CC(=O)OCC(COC(=O)C)NC(=O)C1=C(C(=C(C(=C1I)N2C(CCC2=O)CI)I)C(=O)NC(COC(=O)C)COC(=O)C)I

InChI

InChI=1S/C27H31I4N3O11/c1-12(35)42-8-16(9-43-13(2)36)32-26(40)20-22(29)21(27(41)33-17(10-44-14(3)37)11-45-15(4)38)24(31)25(23(20)30)34-18(7-28)5-6-19(34)39/h16-18H,5-11H2,1-4H3,(H,32,40)(H,33,41)