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

Systemtic Name: 3-[2-azanylethanoyl-[[3-azanyl-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]methyl]amino]-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[acetyl(methyl)amino]-5-[(2-aminoacetyl)-[[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl]amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[acetyl(methyl)amino]-5-[(2-amino-1-oxoethyl)-[[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[acetyl(methyl)amino]-5-[(2-aminoacetyl)-[[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl]amino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[acetyl(methyl)amino]-5-[[3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzyl]-glycyl-amino]-2,4,6-triiodo-benzoic acid Formula: C21H19I6N5O5 MolecularWeight: 1182.83288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)O)I)N(CC2=C(C(=C(C(=C2I)C(=O)NC)I)N)I)C(=O)CN)I

Isomeric SMILES

CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)O)I)N(CC2=C(C(=C(C(=C2I)C(=O)NC)I)N)I)C(=O)CN)I

InChI

InChI=1S/C21H19I6N5O5/c1-6(33)31(3)18-14(25)10(21(36)37)15(26)19(16(18)27)32(8(34)4-28)5-7-11(22)9(20(35)30-2)13(24)17(29)12(7)23/h4-5,28-29H2,1-3H3,(H,30,35)(H,36,37)