MOLI000476
Molecular Formula:
C26H47GdN7O10+3
InChI: InChI=1/C26H47N7O10.Gd/c34-22(27-1-3-29-9-13-42-14-10-29)17-32(20-25(38)39)7-5-31(19-24(36)37)6-8-33(21-26(40)41)18-23(35)28-2-4-30-11-15-43-16-12-30;/h1-21H2,(H,27,34)(H,28,35)(H,36,37)(H,38,39)(H,40,41);/q;+3/f/h27-28,36,38,40H;
InChIKey: InChIKey=FHOLHPCLVAAQHV-HQDCJJSWCA
SMILES: C1COCCN1CCNC(=O)CN(CCN(CCN(CC(=O)NCCN2CCOCC2)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000476
2-[2-[carboxymethyl-[2-(carboxymethyl-(2-morpholin-4-ylethylcarbamoylmethyl)amino)ethyl]amino]ethyl-(2-morpholin-4-ylethylcarbamoylmethyl)amino]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450088
PubChem ID 465
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