AC1L4IJD

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

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

Molecular Formula	C19H14I4N2O6
Molecular Weight	873.7031 g/mol
LogP	3.9
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	873.7031
Monoisotopic Mass	873.7031
Heavy Atoms	31
Complexity	674.0

Chemical Identifiers

CAS Number	29779-64-4
SMILES	C1=CC=C(C=C1)CN(CC(=O)O)C(=O)C2=C(C(=C(C(=C2I)I)C(=O)NCC(=O)O)I)I
InChIKey	WXDVQIHUVTUFEC-UHFFFAOYSA-N