Dtxsid001338456

Structural Information

Molecular Formula

C₇₂H₅₉N₃₃O₂₄S₈

SMILES

CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=C(C(=N3)O)N=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC(=C(C(=N5)O)N=NC6=CC(=CC=C6)S(=O)(=O)O)N)N)O)C7=CC=C(C=C7)S(=O)(=O)NS(=O)(=O)C8=CC=C(C=C8)N9C(=C(C(=N9)C)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC(=C(C(=N1)O)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC(=C(C(=N1)O)N=NC1=CC(=CC=C1)S(=O)(=O)O)N)N)O

InChI

InChI=1S/C72H59N33O24S8/c1-35-53(91-85-37-9-21-45(22-10-37)130(112,113)99-69-77-59(73)55(63(106)81-69)93-87-39-13-25-47(26-14-39)132(116,117)101-71-79-61(75)57(65(108)83-71)95-89-41-5-3-7-51(33-41)136(124,125)126)67(110)104(97-35)43-17-29-49(30-18-43)134(120,121)103-135(122,123)50-31-19-44(20-32-50)105-68(111)54(36(2)98-105)92-86-38-11-23-46(24-12-38)131(114,115)100-70-78-60(74)56(64(107)82-70)94-88-40-15-27-48(28-16-40)133(118,119)102-72-80-62(76)58(66(109)84-72)96-90-42-6-4-8-52(34-42)137(127,128)129/h3-34,103,110-111H,1-2H3,(H,124,125,126)(H,127,128,129)(H4,73,77,81,99,106)(H4,74,78,82,100,107)(H4,75,79,83,101,108)(H4,76,80,84,102,109)

InChIKey

YYSJTCNSKKXZQM-UHFFFAOYSA-N

Compound name

3-[[4-amino-2-[[4-[[4-amino-2-[[4-[[1-[4-[[4-[4-[[4-[[4-amino-5-[[4-[[4-amino-6-hydroxy-5-[(3-sulfophenyl)diazenyl]pyrimidin-2-yl]sulfamoyl]phenyl]diazenyl]-6-hydroxypyrimidin-2-yl]sulfamoyl]phenyl]diazenyl]-5-hydroxy-3-methylpyrazol-1-yl]phenyl]sulfonylsulfamoyl]phenyl]-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]phenyl]sulfonylamino]-6-hydroxypyrimidin-5-yl]diazenyl]phenyl]sulfonylamino]-6-hydroxypyrimidin-5-yl]diazenyl]benzenesulfonic acid

Related CIDs

• CID 165360398