N3-[[3-(2-azanylethylcarbamoyl)phenyl]carbonylamino]-N3-(2-benzamidoethanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide

Systemtic Name: N3-[[3-(2-azanylethylcarbamoyl)phenyl]carbonylamino]-N3-(2-benzamidoethanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide Openeye Name: N3-[[3-(2-aminoethylcarbamoyl)benzoyl]amino]-N3-[(2-benzamidoacetyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide CAS Name: N3-[[[3-[(2-aminoethylamino)-oxomethyl]phenyl]-oxomethyl]amino]-N3-[(2-benzamido-1-oxoethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide IUPAC Name: 3-N-[[3-(2-aminoethylcarbamoyl)benzoyl]amino]-3-N-[(2-benzamidoacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide Traditional Name: N'-[[3-(2-aminoethylcarbamoyl)benzoyl]amino]-N'-(hippuroylamino)-2,4,6-triiodo-isophthalamide Formula: C27H24I3N7O6 MolecularWeight: 923.23617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NN(C(=O)C2=C(C=C(C(=C2I)C(=O)N)I)I)NC(=O)C3=CC=CC(=C3)C(=O)NCCN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)NN(C(=O)C2=C(C=C(C(=C2I)C(=O)N)I)I)NC(=O)C3=CC=CC(=C3)C(=O)NCCN

InChI

InChI=1S/C27H24I3N7O6/c28-17-12-18(29)21(22(30)20(17)23(32)39)27(43)37(35-19(38)13-34-24(40)14-5-2-1-3-6-14)36-26(42)16-8-4-7-15(11-16)25(41)33-10-9-31/h1-8,11-12H,9-10,13,31H2,(H2,32,39)(H,33,41)(H,34,40)(H,35,38)(H,36,42)