3-[2-azanylethanoyl-[3-[2-azanylethanoyl-[3-azanyl-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-amino]-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid

Systemtic Name: 3-[2-azanylethanoyl-[3-[2-azanylethanoyl-[3-azanyl-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonyl-amino]-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-amino]-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-[[3-[acetyl(methyl)amino]-5-[(2-aminoacetyl)-[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-2,4,6-triiodo-benzoyl]-(2-aminoacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[[[3-[acetyl(methyl)amino]-5-[(2-amino-1-oxoethyl)-[[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]-2,4,6-triiodophenyl]-oxomethyl]-(2-amino-1-oxoethyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-[[3-[acetyl(methyl)amino]-5-[(2-aminoacetyl)-[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-2,4,6-triiodobenzoyl]-(2-aminoacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-[[3-[acetyl(methyl)amino]-5-[[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-glycyl-amino]-2,4,6-triiodo-benzoyl]-glycyl-amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C32H25I9N8O9 MolecularWeight: 1807.72933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C(=C(C(=C1I)N(C(=O)CN)C(=O)C2=C(C(=C(C(=C2I)C(=O)NC)I)N)I)I)C(=O)N(C3=C(C(=C(C(=C3I)C(=O)O)I)C(=O)NC)I)C(=O)CN)I

Isomeric SMILES

CC(=O)N(C)C1=C(C(=C(C(=C1I)N(C(=O)CN)C(=O)C2=C(C(=C(C(=C2I)C(=O)NC)I)N)I)I)C(=O)N(C3=C(C(=C(C(=C3I)C(=O)O)I)C(=O)NC)I)C(=O)CN)I

InChI

InChI=1S/C32H25I9N8O9/c1-7(50)47(4)25-20(38)13(31(56)48(8(51)5-42)26-19(37)11(29(54)46-3)16(34)14(22(26)40)32(57)58)21(39)27(23(25)41)49(9(52)6-43)30(55)12-15(33)10(28(53)45-2)17(35)24(44)18(12)36/h5-6,42-44H2,1-4H3,(H,45,53)(H,46,54)(H,57,58)