2-[bis[2-[carboxylatomethyl-[10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]decylcarbamoylmethyl]amino]ethyl]amino]acetate; gadolinium(+3) cation

Molecular Formula: C66H124GdN7O24


InChI: InChI=1/C66H127N7O24.Gd/c1-84-31-33-88-39-41-92-47-49-96-53-51-94-45-43-90-37-35-86-29-23-69-60(74)19-15-11-7-3-5-9-13-17-21-67-62(76)55-72(58-65(80)81)27-25-71(57-64(78)79)26-28-73(59-66(82)83)56-63(77)68-22-18-14-10-6-4-8-12-16-20-61(75)70-24-30-87-36-38-91-44-46-95-52-54-97-50-48-93-42-40-89-34-32-85-2;/h3-59H2,1-2H3,(H,67,76)(H,68,77)(H,69,74)(H,70,75)(H,78,79)(H,80,81)(H,82,83);/q;+3/p-3/fC66H124N7O24.Gd/h67-70H;/q-3;m

InChIKey: InChIKey=KHYQJLQRTDDTJP-RJKACGHWCY
SMILES: COCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)NCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Names:
    2-[bis[2-[carboxylatomethyl-[10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]decylcarbamoylmethyl]amino]ethyl]amino]acetate; gadolinium(+3) cation

Registries:
    PubChem CID 9942036
    PubChem ID 14915345