MOLI000463

Molecular Formula: C29H49GdN3O12+3


InChI: InChI=1/C29H49N3O12.Gd/c1-2-3-4-5-6-7-8-9-10-11-12-14-29(43)44-16-13-15-30(17-23(33)31(19-25(35)36)20-26(37)38)18-24(34)32(21-27(39)40)22-28(41)42;/h2-22H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42);/q;+3/f/h35,37,39,41H;

InChIKey: InChIKey=QVAVKSOIGOOSLR-USABHHIKCU
SMILES: CCCCCCCCCCCCCC(=O)OCCCN(CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000463
    2-[[2-[bis(carboxymethyl)carbamoylmethyl-(3-tetradecanoyloxypropyl)amino]acetyl]-(carboxymethyl)amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450067
    PubChem ID 452