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gallium 2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-[(2R,3S)-1,3,4-tris(oxidanyl)butan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

gallium 2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-[(2R,3S)-1,3,4-tris(oxidanyl)butan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name:gallium 2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-[(2R,3S)-1,3,4-tris(oxidanyl)butan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate
Openeye Name:gallium 2-[7-[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-4,10-bis(2-oxido-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CAS Name:gallium 2-[4,10-bis(2-oxido-2-oxoethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
IUPAC Name:gallium 2-[4,10-bis(2-oxido-2-oxoethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Traditional Name:gallium 2-[7-[(1R,2S)-2,3-dihydroxy-1-methylol-propyl]-4,10-bis(2-keto-2-oxido-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Formula: C18H31GaN4O9
MolecularWeight: 517.18314
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Ga+3]


Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Ga+3]


InChI

InChI=1S/C18H34N4O9.Ga/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m1./s1


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Name: gallium 2-[4,10-bis(2-oxidanidyl-2-oxidanylidene-ethyl)-7-[(2R,3S)-1,3,4-tris(oxidanyl)butan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

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