Isis 9035

Structural Information

Molecular Formula

C₉₈H₁₂₄N₃₇O₅₁P₉S₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C98H124N37O51P9S9/c1-37-18-128(96(147)123-83(37)138)65-12-44(54(172-65)25-160-188(151,197)178-41-9-69(168-50(41)21-136)133-34-110-74-80(133)116-91(103)120-87(74)142)182-193(156,202)167-30-59-49(17-71(177-59)135-36-112-76-82(135)118-93(105)122-89(76)144)186-194(157,203)162-24-53-42(10-63(171-53)126-6-4-60(99)113-94(126)145)179-189(152,198)163-26-55-45(13-66(173-55)129-19-38(2)84(139)124-97(129)148)181-191(154,200)161-23-52-43(11-64(170-52)127-7-5-61(100)114-95(127)146)180-190(153,199)165-28-57-47(15-68(175-57)131-32-108-72-77(101)106-31-107-78(72)131)185-195(158,204)164-27-56-46(14-67(174-56)130-20-39(3)85(140)125-98(130)149)183-192(155,201)166-29-58-48(16-70(176-58)134-35-111-75-81(134)117-92(104)121-88(75)143)184-187(150,196)159-22-51-40(137)8-62(169-51)132-33-109-73-79(132)115-90(102)119-86(73)141/h4-7,18-20,31-36,40-59,62-71,136-137H,8-17,21-30H2,1-3H3,(H,150,196)(H,151,197)(H,152,198)(H,153,199)(H,154,200)(H,155,201)(H,156,202)(H,157,203)(H,158,204)(H2,99,113,145)(H2,100,114,146)(H2,101,106,107)(H,123,138,147)(H,124,139,148)(H,125,140,149)(H3,102,115,119,141)(H3,103,116,120,142)(H3,104,117,121,143)(H3,105,118,122,144)

InChIKey

UEKUDJMOBKLYLD-UHFFFAOYSA-N

Compound name

1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16131646