3-[2-azanylethanoyl-[3-[2-azanylethanoyl-[3-[ethanoyl(methyl)amino]-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-[ethanoyl(methyl)amino]-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-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-(2-aminoacetyl)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-[[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]-(2-amino-1-oxoethyl)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-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-(2-aminoacetyl)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-[acetyl(methyl)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: C35H29I9N8O10 MolecularWeight: 1863.79259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H29I9N8O10/c1-9(53)49(5)27-20(38)13(31(57)47-3)18(36)15(22(27)40)33(59)52(12(56)8-46)30-24(42)16(23(41)28(26(30)44)50(6)10(2)54)34(60)51(11(55)7-45)29-21(39)14(32(58)48-4)19(37)17(25(29)43)35(61)62/h7-8,45-46H2,1-6H3,(H,47,57)(H,48,58)(H,61,62)