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

Systemtic Name: 2-[2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethanoate; gadolinium(3+) Openeye Name: 2-[2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-(2-pyridylmethyl)amino]ethyl-(2-pyridylmethyl)amino]acetate; gadolinium(3+) CAS Name: 2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-pyridinylmethyl)amino]ethyl-(2-pyridinylmethyl)amino]acetate; gadolinium(3+) IUPAC Name: 2-[2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate; gadolinium(3+) Traditional Name: 2-[2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-(2-pyridylmethyl)amino]ethyl-(2-pyridylmethyl)amino]acetate; gadolinium(3+) Formula: C22H26GdN5O6 MolecularWeight: 613.72174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCN(CC2=CC=CC=N2)CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3]

Isomeric SMILES

C1=CC=NC(=C1)CN(CCN(CC2=CC=CC=N2)CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Gd+3]

InChI

InChI=1S/C22H29N5O6.Gd/c28-20(29)15-26(14-19-6-2-4-8-24-19)11-9-25(13-18-5-1-3-7-23-18)10-12-27(16-21(30)31)17-22(32)33;/h1-8H,9-17H2,(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3