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2-[(E)-[[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[5-[5-[6-(4,6-diphenylpyridin-2-yl)oxy-2-methyl-hexan-2-yl]-1,3-dihydro-1,2,3,4-tetrazol-2-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid
2-[(E)-[[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[5-[5-[6-(4,6-diphenylpyridin-2-yl)oxy-2-methyl-hexan-2-yl]-1,3-dihydro-1,2,3,4-tetrazol-2-yl]pentanoylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid
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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=NNN(N4)CCCCC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C5=CN=C(C=C5)NN=CC6=CC=CC=C6S(=O)(=O)O
Isomeric SMILES
CC(C)(CCCCOC1=CC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=NNN(N4)CCCCC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C5=CN=C(C=C5)N/N=C/C6=CC=CC=C6S(=O)(=O)O
InChI
InChI=1S/C64H90N10O15S/c1-64(2,25-12-14-30-89-61-49-56(52-16-5-3-6-17-52)48-57(69-61)53-18-7-4-8-19-53)63-71-73-74(72-63)28-13-11-22-60(75)65-26-15-29-80-32-34-82-36-38-84-40-42-86-44-46-88-47-45-87-43-41-85-39-37-83-35-33-81-31-27-66-62(76)55-23-24-59(67-50-55)70-68-51-54-20-9-10-21-58(54)90(77,78)79/h3-10,16-21,23-24,48-51,73H,11-15,22,25-47H2,1-2H3,(H,65,75)(H,66,76)(H,67,70)(H,71,72)(H,77,78,79)/b68-51+
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