sodium; 2-[2-[[2-[[3,5-bis[[4-[4-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-4-oxidanylidene-butanoyl]oxy-3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate; technetium-99

Systemtic Name: sodium; 2-[2-[[2-[[3,5-bis[[4-[4-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-4-oxidanylidene-butanoyl]oxy-3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate; technetium-99 Openeye Name: sodium; 2-[2-[[2-[[3,5-bis[[3,5-bis[2-[2-(2-tert-butoxyethoxy)ethoxy]ethoxy]-4-[4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxo-butanoyl]oxy-phenyl]methoxy]phenyl]methoxy]-2-oxo-ethyl]-(2-oxido-2-oxo-ethyl)amino]ethyl-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate; technetium-99 CAS Name: sodium; 2-[2-[[2-[[3,5-bis[[4-[4-[2-(3,4-dihydroxyphenyl)ethylamino]-1,4-dioxobutoxy]-3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; technetium-99 IUPAC Name: sodium; 2-[2-[[2-[[3,5-bis[[4-[4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxobutanoyl]oxy-3,5-bis[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methoxy]-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; technetium-99 Traditional Name: sodium; 2-[2-[[2-[3,5-bis[[3,5-bis[2-[2-(2-tert-butoxyethoxy)ethoxy]ethoxy]-4-[4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-keto-butanoyl]oxy-benzyl]oxy]benzyl]oxy-2-keto-ethyl]-(2-keto-2-oxido-ethyl)amino]ethyl-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate; technetium-99 Formula: C99H143N5NaO38Tc-3 MolecularWeight: 2133.101445

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCCOCCOCCOC1=CC(=CC(=C1OC(=O)CCC(=O)NCCC2=CC(=C(C=C2)O)O)OCCOCCOCCOC(C)(C)C)COC3=CC(=CC(=C3)COC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])OCC4=CC(=C(C(=C4)OCCOCCOCCOC(C)(C)C)OC(=O)CCC(=O)NCCC5=CC(=C(C=C5)O)O)OCCOCCOCCOC(C)(C)C.[Na+].[Tc]

Isomeric SMILES

CC(C)(C)OCCOCCOCCOC1=CC(=CC(=C1OC(=O)CCC(=O)NCCC2=CC(=C(C=C2)O)O)OCCOCCOCCOC(C)(C)C)COC3=CC(=CC(=C3)COC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])OCC4=CC(=C(C(=C4)OCCOCCOCCOC(C)(C)C)OC(=O)CCC(=O)NCCC5=CC(=C(C=C5)O)O)OCCOCCOCCOC(C)(C)C.[Na+].[99Tc]

InChI

InChI=1S/C99H147N5O38.Na.Tc/c1-96(2,3)137-49-41-126-33-29-122-37-45-130-81-57-73(58-82(131-46-38-123-30-34-127-42-50-138-97(4,5)6)94(81)141-91(119)19-17-85(109)100-23-21-70-13-15-77(105)79(107)55-70)67-134-75-53-72(69-136-93(121)66-104(65-90(117)118)28-26-102(62-87(111)112)25-27-103(63-88(113)114)64-89(115)116)54-76(61-75)135-68-74-59-83(132-47-39-124-31-35-128-43-51-139-98(7,8)9)95(84(60-74)133-48-40-125-32-36-129-44-52-140-99(10,11)12)142-92(120)20-18-86(110)101-24-22-71-14-16-78(106)80(108)56-71;;/h13-16,53-61,105-108H,17-52,62-69H2,1-12H3,(H,100,109)(H,101,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118);;/q;+1;/p-4/i;;1+1