2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]amino]ethanoic acid; (2R)-2-[(6-diazenylpyridin-3-yl)carbonylamino]-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[2-[2-[2-[3-[5-[5-[6-(4,6-diphenylpyridin-2-yl)oxy-2-methyl-hexan-2-yl]-1,2,3,4-tetrazol-1-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-3-sulfo-propan-2-yl]amino]-1-oxidanylidene-3-sulfo-propan-2-yl]amino]-1-oxidanylidene-3-sulfo-propan-2-yl]amino]-3-oxidanylidene-propane-1-sulfonic acid; pyridine-4-carboxylic acid; technetium-99

Systemtic Name: 2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]amino]ethanoic acid; (2R)-2-[(6-diazenylpyridin-3-yl)carbonylamino]-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[2-[2-[2-[3-[5-[5-[6-(4,6-diphenylpyridin-2-yl)oxy-2-methyl-hexan-2-yl]-1,2,3,4-tetrazol-1-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-3-sulfo-propan-2-yl]amino]-1-oxidanylidene-3-sulfo-propan-2-yl]amino]-1-oxidanylidene-3-sulfo-propan-2-yl]amino]-3-oxidanylidene-propane-1-sulfonic acid; pyridine-4-carboxylic acid; technetium-99 Openeye Name: (2R)-2-[(6-diazenylpyridine-3-carbonyl)amino]-3-[[(1R)-2-[[(1R)-2-[[(1R)-2-[2-[2-[2-[3-[5-[5-[5-[(4,6-diphenyl-2-pyridyl)oxy]-1,1-dimethyl-pentyl]tetrazol-1-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-oxo-1-(sulfomethyl)ethyl]amino]-2-oxo-1-(sulfomethyl)ethyl]amino]-2-oxo-1-(sulfomethyl)ethyl]amino]-3-oxo-propane-1-sulfonic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propyl]amino]acetic acid; isonicotinic acid; technetium-99 CAS Name: (2R)-2-[[(6-diazenyl-3-pyridinyl)-oxomethyl]amino]-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[2-[2-[2-[3-[[5-[5-[6-[(4,6-diphenyl-2-pyridinyl)oxy]-2-methylhexan-2-yl]-1-tetrazolyl]-1-oxopentyl]amino]propoxy]ethoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-3-oxo-1-propanesulfonic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propyl]amino]acetic acid; 4-pyridinecarboxylic acid; technetium-99 IUPAC Name: (2R)-2-[(6-diazenylpyridine-3-carbonyl)amino]-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[2-[2-[2-[3-[5-[5-[6-(4,6-diphenylpyridin-2-yl)oxy-2-methylhexan-2-yl]tetrazol-1-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-1-oxo-3-sulfopropan-2-yl]amino]-3-oxopropane-1-sulfonic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propyl]amino]acetic acid; pyridine-4-carboxylic acid; technetium-99 Traditional Name: (2R)-2-[(6-diazenylnicotinoyl)amino]-3-[[(1R)-2-[[(1R)-2-[[(1R)-2-[2-[2-[2-[3-[5-[5-[5-[(4,6-diphenyl-2-pyridyl)oxy]-1,1-dimethyl-pentyl]tetrazol-1-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethylamino]-2-keto-1-(sulfomethyl)ethyl]amino]-2-keto-1-(sulfomethyl)ethyl]amino]-2-keto-1-(sulfomethyl)ethyl]amino]-3-keto-propane-1-sulfonic acid; 2-[(3-hydroxy-2,2-dimethylol-propyl)amino]acetic acid; isonicotinic acid; technetium-99 Formula: C70H98N16O29S4Tc MolecularWeight: 1854.783175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=NN4CCCCC(=O)NCCCOCCOCCOCCNC(=O)C(CS(=O)(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)C5=CN=C(C=C5)N=N.C1=CN=CC=C1C(=O)O.C(C(=O)O)NCC(CO)(CO)CO.[Tc]

Isomeric SMILES

CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=NN=NN4CCCCC(=O)NCCCOCCOCCOCCNC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)[C@H](CS(=O)(=O)O)NC(=O)C5=CN=C(C=C5)N=N.C1=CN=CC=C1C(=O)O.C(C(=O)O)NCC(CO)(CO)CO.[99Tc]

InChI

InChI=1S/C57H78N14O22S4.C7H15NO5.C6H5NO2.Tc/c1-57(2,21-10-12-26-93-50-33-42(39-14-5-3-6-15-39)32-43(62-50)40-16-7-4-8-17-40)56-68-69-70-71(56)24-11-9-18-49(72)59-22-13-25-90-28-30-92-31-29-91-27-23-60-52(74)44(35-94(78,79)80)64-54(76)46(37-96(84,85)86)66-55(77)47(38-97(87,88)89)65-53(75)45(36-95(81,82)83)63-51(73)41-19-20-48(67-58)61-34-41;9-3-7(4-10,5-11)2-8-1-6(12)13;8-6(9)5-1-3-7-4-2-5;/h3-8,14-17,19-20,32-34,44-47,58H,9-13,18,21-31,35-38H2,1-2H3,(H,59,72)(H,60,74)(H,63,73)(H,64,76)(H,65,75)(H,66,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89);8-11H,1-5H2,(H,12,13);1-4H,(H,8,9);/t44-,45-,46-,47-;;;/m0.../s1/i;;;1+1