MOLI000477
Molecular Formula:
C28H51GdN7O10+3
InChI: InChI=1/C28H51N7O10.Gd/c1-29(3-5-31-11-15-44-16-12-31)24(36)19-34(22-27(40)41)9-7-33(21-26(38)39)8-10-35(23-28(42)43)20-25(37)30(2)4-6-32-13-17-45-18-14-32;/h3-23H2,1-2H3,(H,38,39)(H,40,41)(H,42,43);/q;+3/f/h38,40,42H;
InChIKey: InChIKey=DRDOWQZUWDVHKT-WCPDJTFOCU
SMILES: CN(CCN1CCOCC1)C(=O)CN(CCN(CCN(CC(=O)N(C)CCN2CCOCC2)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000477
2-[2-[carboxymethyl-[2-[carboxymethyl-[(methyl-(2-morpholin-4-ylethyl)carbamoyl)methyl]amino]ethyl]amino]ethyl-[(methyl-(2-morpholin-4-ylethyl)carbamoyl)methyl]amino]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450090
PubChem ID 466
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