2-[(5S,11S,14R)-11-[3-[bis(azanyl)methylideneamino]propyl]-19-[[6-[(6-diazanylpyridin-3-yl)carbonylamino]-2-methyl-hexanoyl]amino]-12-methyl-4,7,10,13,16-pentakis(oxidanylidene)-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]ethanoic acid; 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid; technetium-99

Systemtic Name: 2-[(5S,11S,14R)-11-[3-[bis(azanyl)methylideneamino]propyl]-19-[[6-[(6-diazanylpyridin-3-yl)carbonylamino]-2-methyl-hexanoyl]amino]-12-methyl-4,7,10,13,16-pentakis(oxidanylidene)-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]ethanoic acid; 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid; technetium-99 Openeye Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 2-[(5S,11S,14R)-11-(3-guanidinopropyl)-19-[[6-[(6-hydrazinopyridine-3-carbonyl)amino]-2-methyl-hexanoyl]amino]-14-isopropyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid; 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]acetic acid; technetium-99 CAS Name: 3-bis(3-sulfophenyl)phosphinobenzenesulfonic acid; 2-[(5S,11S,14R)-11-[3-(diaminomethylideneamino)propyl]-19-[[6-[[(6-hydrazinyl-3-pyridinyl)-oxomethyl]amino]-2-methyl-1-oxohexyl]amino]-12-methyl-4,7,10,13,16-pentaoxo-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-trien-5-yl]acetic acid; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; technetium-99 IUPAC Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; 2-[(5S,11S,14R)-11-[3-(diaminomethylideneamino)propyl]-19-[[6-[(6-hydrazinylpyridine-3-carbonyl)amino]-2-methylhexanoyl]amino]-12-methyl-4,7,10,13,16-pentaoxo-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; technetium-99 Traditional Name: 3-bis(3-sulfophenyl)phosphinobesylic acid; 2-[(5S,11S,14R)-11-(3-guanidinopropyl)-19-[[6-[(6-hydrazinonicotinoyl)amino]-2-methyl-hexanoyl]amino]-14-isopropyl-4,7,10,13,16-pentaketo-12-methyl-3,6,9,12,15-pentazabicyclo[15.3.1]heneicosa-1(21),17,19-trien-5-yl]acetic acid; 2-[(2-hydroxy-1,1-dimethylol-ethyl)amino]acetic acid; technetium-99 Formula: C63H85N14O23PS3Tc MolecularWeight: 1632.504016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C(=O)NCC(=O)NC(C(=O)NCC2=CC(=CC(=C2)C(=O)N1)NC(=O)C(C)CCCCNC(=O)C3=CN=C(C=C3)NN)CC(=O)O)CCCN=C(N)N)C.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.C(C(=O)O)NC(CO)(CO)CO.[Tc]

Isomeric SMILES

CC(C)[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=CC(=CC(=C2)C(=O)N1)NC(=O)C(C)CCCCNC(=O)C3=CN=C(C=C3)NN)CC(=O)O)CCCN=C(N)N)C.C1=CC(=CC(=C1)S(=O)(=O)O)P(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O.C(C(=O)O)NC(CO)(CO)CO.[99Tc]

InChI

InChI=1S/C39H57N13O9.C18H15O9PS3.C6H13NO5.Tc/c1-21(2)32-38(61)52(4)28(9-7-13-44-39(40)41)37(60)47-20-30(53)49-27(17-31(54)55)36(59)46-18-23-14-25(35(58)50-32)16-26(15-23)48-33(56)22(3)8-5-6-12-43-34(57)24-10-11-29(51-42)45-19-24;19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;8-2-6(3-9,4-10)7-1-5(11)12;/h10-11,14-16,19,21-22,27-28,32H,5-9,12-13,17-18,20,42H2,1-4H3,(H,43,57)(H,45,51)(H,46,59)(H,47,60)(H,48,56)(H,49,53)(H,50,58)(H,54,55)(H4,40,41,44);1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);7-10H,1-4H2,(H,11,12);/t22?,27-,28-,32+;;;/m0.../s1/i;;;1+1