AC1L4IJA

2-[[4-[carboxymethyl(ethyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid

Also Known As: Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-ethyl-|N-(4-(((Carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-ethylglycine|N-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-aethyl-aminoessigsaure [German]|N-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-aethyl-aminoessigsaure|{4-[(Carboxymethyl)carbamoyl]-N-ethyl-2,3,5,6-tetraiodobenzamido}acetic acid|2-[[4-[carboxymethyl(ethyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid

Molecular Formula	C14H12I4N2O6
Molecular Weight	811.6874 g/mol
LogP	2.8
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	811.6874
Monoisotopic Mass	811.6874
Heavy Atoms	26
Complexity	562.0

Chemical Identifiers

CAS Number	29779-63-3
SMILES	CCN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)NCC(=O)O)I)I
InChIKey	MULDLEGRGXSNSV-UHFFFAOYSA-N