Dihu

Structural Information

Molecular Formula

C₁₃₇H₁₇₂N₅₅O₆₉P₁₃S₁₃

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C(N=CN=C98)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C137H172N55O69P13S13/c1-52-24-182(135(206)176-119(52)195)90-14-59(73(239-90)31-223-263(210,276)249-56-11-87(235-69(56)27-193)179-7-4-83(138)163-132(179)203)252-266(213,279)224-29-71-57(12-88(237-71)180-8-5-84(139)164-133(180)204)250-264(211,277)228-35-77-63(18-94(243-77)186-45-156-101-109(142)150-42-153-112(101)186)256-271(218,284)232-38-80-65(20-96(246-80)189-48-159-104-115(189)167-128(145)172-123(104)199)258-269(216,282)226-32-74-60(15-91(240-74)183-25-53(2)120(196)177-136(183)207)253-267(214,280)225-30-72-58(13-89(238-72)181-9-6-85(140)165-134(181)205)251-265(212,278)231-37-79-67(22-98(245-79)191-50-161-106-117(191)169-130(147)174-125(106)201)261-274(221,287)234-40-82-66(21-97(248-82)190-49-160-105-116(190)168-129(146)173-124(105)200)259-270(217,283)227-33-75-61(16-92(241-75)184-26-54(3)121(197)178-137(184)208)254-268(215,281)229-36-78-64(19-95(244-78)187-46-157-102-110(143)151-43-154-113(102)187)257-272(219,285)233-39-81-68(23-99(247-81)192-51-162-107-118(192)170-131(148)175-126(107)202)260-273(220,286)230-34-76-62(17-93(242-76)185-44-155-100-108(141)149-41-152-111(100)185)255-262(209,275)222-28-70-55(194)10-86(236-70)188-47-158-103-114(188)166-127(144)171-122(103)198/h4-9,24-26,41-51,55-82,86-99,193-194H,10-23,27-40H2,1-3H3,(H,209,275)(H,210,276)(H,211,277)(H,212,278)(H,213,279)(H,214,280)(H,215,281)(H,216,282)(H,217,283)(H,218,284)(H,219,285)(H,220,286)(H,221,287)(H2,138,163,203)(H2,139,164,204)(H2,140,165,205)(H2,141,149,152)(H2,142,150,153)(H2,143,151,154)(H,176,195,206)(H,177,196,207)(H,178,197,208)(H3,144,166,171,198)(H3,145,167,172,199)(H3,146,168,173,200)(H3,147,169,174,201)(H3,148,170,175,202)

InChIKey

VOVZEZKGVHTBFB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133936