MOLI000475

Molecular Formula: C26H47GdN7O12+3


InChI: InChI=1/C26H47N7O12.Gd/c1-29(13-20(34)27-5-11-44-3)22(36)15-32(18-25(40)41)9-7-31(17-24(38)39)8-10-33(19-26(42)43)16-23(37)30(2)14-21(35)28-6-12-45-4;/h5-19H2,1-4H3,(H,27,34)(H,28,35)(H,38,39)(H,40,41)(H,42,43);/q;+3/f/h27-28,38,40,42H;

InChIKey: InChIKey=FHSFGFAQYXOIJE-ZCMJEHNZCQ
SMILES: CN(CC(=O)NCCOC)C(=O)CN(CCN(CCN(CC(=O)N(C)CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000475
    2-[bis[2-[carboxymethyl-[(2-methoxyethylcarbamoylmethyl-methyl-carbamoyl)methyl]amino]ethyl]amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450086
    PubChem ID 464