2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[2-oxidanylidene-2-(2-pyridin-4-ylcarbonylhydrazinyl)ethyl]amino]ethyl]amino]ethanoate; gadolinium(3+)

Systemtic Name: 2-[bis[2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[2-oxidanylidene-2-(2-pyridin-4-ylcarbonylhydrazinyl)ethyl]amino]ethyl]amino]ethanoate; gadolinium(3+) Openeye Name: 2-[bis[2-[(2-oxido-2-oxo-ethyl)-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazino]ethyl]amino]ethyl]amino]acetate; gadolinium(3+) CAS Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-[2-oxo-2-[[oxo(pyridin-4-yl)methyl]hydrazo]ethyl]amino]ethyl]amino]acetate; gadolinium(3+) IUPAC Name: 2-[bis[2-[(2-oxido-2-oxoethyl)-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]amino]ethyl]amino]acetate; gadolinium(3+) Traditional Name: 2-[bis[2-[[2-(N'-isonicotinoylhydrazino)-2-keto-ethyl]-(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate; gadolinium(3+) Formula: C26H30GdN9O10 MolecularWeight: 785.8207

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NNC(=O)CN(CCN(CCN(CC(=O)NNC(=O)C2=CC=NC=C2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

C1=CN=CC=C1C(=O)NNC(=O)CN(CCN(CCN(CC(=O)NNC(=O)C2=CC=NC=C2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C26H33N9O10.Gd/c36-20(29-31-25(44)18-1-5-27-6-2-18)13-34(16-23(40)41)11-9-33(15-22(38)39)10-12-35(17-24(42)43)14-21(37)30-32-26(45)19-3-7-28-8-4-19;/h1-8H,9-17H2,(H,29,36)(H,30,37)(H,31,44)(H,32,45)(H,38,39)(H,40,41)(H,42,43);/q;+3/p-3