MOLI000467
Molecular Formula:
C20H37GdN5O10+3
InChI: InChI=1/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/f/h21-22,28,30,32H;
InChIKey: InChIKey=HBEAOBRDTOXWRZ-JRKOYJLLCB
SMILES: COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000467
2-[bis[2-(carboxymethyl-(2-methoxyethylcarbamoylmethyl)amino)ethyl]amino]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450071
PubChem ID 456
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