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

Systemtic Name: 3-acetamido-5-[2-azanylethanoyl-[3-azanyl-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-acetamido-5-[[3-[acetyl(methyl)amino]-5-amino-2,4,6-triiodo-benzoyl]-(2-aminoacetyl)amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-acetamido-5-[[[3-[acetyl(methyl)amino]-5-amino-2,4,6-triiodophenyl]-oxomethyl]-(2-amino-1-oxoethyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-acetamido-5-[[3-[acetyl(methyl)amino]-5-amino-2,4,6-triiodobenzoyl]-(2-aminoacetyl)amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-acetamido-5-[[3-[acetyl(methyl)amino]-5-amino-2,4,6-triiodo-benzoyl]-glycyl-amino]-2,4,6-triiodo-benzoic acid Formula: C21H17I6N5O6 MolecularWeight: 1196.8164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C(=O)CN)C(=O)C2=C(C(=C(C(=C2I)N(C)C(=O)C)I)N)I)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C(=O)CN)C(=O)C2=C(C(=C(C(=C2I)N(C)C(=O)C)I)N)I)I

InChI

InChI=1S/C21H17I6N5O6/c1-5(33)30-17-11(23)9(21(37)38)13(25)19(15(17)27)32(7(35)4-28)20(36)8-10(22)16(29)14(26)18(12(8)24)31(3)6(2)34/h4,28-29H2,1-3H3,(H,30,33)(H,37,38)