MOLI000480
Molecular Formula:
C32H56GdN4O13+3
InChI: InChI=1/C32H56N4O13.Gd/c1-2-3-4-5-6-7-8-9-10-11-12-13-32(48)49-19-17-34(21-27(39)36(24-30(44)45)25-31(46)47)15-14-33(16-18-37)20-26(38)35(22-28(40)41)23-29(42)43;/h37H,2-25H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);/q;+3/f/h40,42,44,46H;
InChIKey: InChIKey=YDIHYCJFOKUIDR-JDWDCYGACA
SMILES: CCCCCCCCCCCCCC(=O)OCCN(CCN(CCO)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000480
2-[[2-[2-[bis(carboxymethyl)carbamoylmethyl-(2-tetradecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450094
PubChem ID 469
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