3-[[[3-acetamido-5-[[3-carboxy-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbamoyl-methyl-carbamoyl]-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-carbamoyl]amino]-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[[[3-acetamido-5-[[3-carboxy-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbamoyl-methyl-carbamoyl]-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-carbamoyl]amino]-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[[[3-acetamido-5-[[3-[acetyl(methyl)amino]-5-carboxy-2,4,6-triiodo-phenyl]carbamoyl-methyl-carbamoyl]-2,4,6-triiodo-benzoyl]-methyl-carbamoyl]amino]-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[[[[[3-acetamido-5-[[[[3-[acetyl(methyl)amino]-5-carboxy-2,4,6-triiodoanilino]-oxomethyl]-methylamino]-oxomethyl]-2,4,6-triiodophenyl]-oxomethyl]-methylamino]-oxomethyl]amino]-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[[[3-acetamido-5-[[3-[acetyl(methyl)amino]-5-carboxy-2,4,6-triiodophenyl]carbamoyl-methylcarbamoyl]-2,4,6-triiodobenzoyl]-methylcarbamoyl]amino]-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[[[3-acetamido-5-[[3-[acetyl(methyl)amino]-5-carboxy-2,4,6-triiodo-phenyl]carbamoyl-methyl-carbamoyl]-2,4,6-triiodo-benzoyl]-methyl-carbamoyl]amino]-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid Formula: C34H26I9N7O11 MolecularWeight: 1850.75077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)C(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)N(C)C(=O)C)I)I)C(=O)N(C)C(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)N(C)C(=O)C)I)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)C(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)N(C)C(=O)C)I)I)C(=O)N(C)C(=O)NC3=C(C(=C(C(=C3I)C(=O)O)I)N(C)C(=O)C)I)I

InChI

InChI=1S/C34H26I9N7O11/c1-8(51)44-24-16(36)11(29(54)49(6)33(60)45-25-18(38)13(31(56)57)20(40)27(22(25)42)47(4)9(2)52)15(35)12(17(24)37)30(55)50(7)34(61)46-26-19(39)14(32(58)59)21(41)28(23(26)43)48(5)10(3)53/h1-7H3,(H,44,51)(H,45,60)(H,46,61)(H,56,57)(H,58,59)