4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; 3-[[1-[3-[[4-[3-[2-[2-[3-[(6-diazenylpyridin-3-yl)carbonylamino]propoxy]ethoxy]ethoxy]propylamino]-4-oxidanylidene-butanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid; 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid; technetium-99

Systemtic Name: 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; 3-[[1-[3-[[4-[3-[2-[2-[3-[(6-diazenylpyridin-3-yl)carbonylamino]propoxy]ethoxy]ethoxy]propylamino]-4-oxidanylidene-butanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid; 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid; technetium-99 Openeye Name: 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; 3-[[1-[3-[[4-[3-[2-[2-[3-[(6-diazenylpyridine-3-carbonyl)amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxo-butanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-quinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid; 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]acetic acid; technetium-99 CAS Name: 4-bis(4-sulfonatophenyl)phosphinobenzenesulfonate; 3-[[[1-[3-[[4-[3-[2-[2-[3-[[(6-diazenyl-3-pyridinyl)-oxomethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-1,4-dioxobutyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxo-3-quinolinyl]-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; technetium-99 IUPAC Name: 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; 3-[[1-[3-[[4-[3-[2-[2-[3-[(6-diazenylpyridine-3-carbonyl)amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-oxoquinoline-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; technetium-99 Traditional Name: 4-bis(4-sulfonatophenyl)phosphinobesylate; 3-[[1-[3-[[4-[3-[2-[2-[3-[(6-diazenylnicotinoyl)amino]propoxy]ethoxy]ethoxy]propylamino]-4-keto-butanoyl]amino]propyl]-7-[(1H-imidazol-2-ylamino)methyl]-4-keto-quinoline-3-carbonyl]amino]-2-(mesitylsulfonylamino)propionic acid; 2-[(2-hydroxy-1,1-dimethylol-ethyl)amino]acetic acid; technetium-99 Formula: C73H89N13O26PS4Tc-3 MolecularWeight: 1822.699276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CN(C3=C(C2=O)C=CC(=C3)CNC4=NC=CN4)CCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)C5=CN=C(C=C5)N=N)C(=O)O)C.C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C(C(=O)O)NC(CO)(CO)CO.[Tc]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CN(C3=C(C2=O)C=CC(=C3)CNC4=NC=CN4)CCCNC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)C5=CN=C(C=C5)N=N)C(=O)O)C.C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C(C(=O)O)NC(CO)(CO)CO.[99Tc]

InChI

InChI=1S/C49H64N12O12S.C18H15O9PS3.C6H13NO5.Tc/c1-32-25-33(2)45(34(3)26-32)74(69,70)60-39(48(67)68)30-57-47(66)38-31-61(40-27-35(7-9-37(40)44(38)64)28-58-49-54-16-17-55-49)18-4-13-51-42(62)11-12-43(63)52-14-5-19-71-21-23-73-24-22-72-20-6-15-53-46(65)36-8-10-41(59-50)56-29-36;19-29(20,21)16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(22,23)24)15-5-11-18(12-6-15)31(25,26)27;8-2-6(3-9,4-10)7-1-5(11)12;/h7-10,16-17,25-27,29,31,39,50,60H,4-6,11-15,18-24,28,30H2,1-3H3,(H,51,62)(H,52,63)(H,53,65)(H,57,66)(H,67,68)(H2,54,55,58);1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);7-10H,1-4H2,(H,11,12);/p-3/i;;;1+1