Isis 10479

Structural Information

Molecular Formula

C₁₆₂H₂₀₈N₆₀O₈₄P₁₆S₁₆

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=NC7=C6N=C(NC7=O)N)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=CC(=NC1=O)N)OP(=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)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=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C162H208N60O84P16S16/c1-66-37-214(160(239)203-143(66)225)119-29-78(96(284-119)50-267-318(253,334)301-80-31-121(216-39-68(3)145(227)205-162(216)241)285-97(80)51-268-317(252,333)300-79-30-120(215-38-67(2)144(226)204-161(215)240)283-95(79)49-266-312(247,328)295-74-25-115(210-16-8-107(167)193-156(210)235)278-90(74)44-260-309(244,325)292-71-22-112(207-13-5-104(164)190-153(207)232)276-88(71)42-259-308(243,324)291-70-21-125(274-86(70)40-223)220-63-186-131-140(220)197-149(174)200-146(131)228)299-316(251,332)263-46-92-76(27-117(280-92)212-18-10-109(169)195-158(212)237)297-314(249,330)272-55-101-84(35-126(289-101)221-64-187-132-141(221)198-150(175)201-147(132)229)305-320(255,336)265-48-94-77(28-118(282-94)213-19-11-110(170)196-159(213)238)298-315(250,331)273-56-102-85(36-127(290-102)222-65-188-133-142(222)199-151(176)202-148(133)230)306-322(257,338)271-54-100-82(33-123(288-100)218-61-184-129-135(172)178-58-181-138(129)218)303-319(254,335)264-47-93-73(24-114(281-93)209-15-7-106(166)192-155(209)234)294-311(246,327)261-43-89-72(23-113(277-89)208-14-6-105(165)191-154(208)233)293-310(245,326)262-45-91-75(26-116(279-91)211-17-9-108(168)194-157(211)236)296-313(248,329)269-53-99-83(34-124(287-99)219-62-185-130-136(173)179-59-182-139(130)219)304-321(256,337)270-52-98-81(32-122(286-98)217-60-183-128-134(171)177-57-180-137(128)217)302-307(242,323)258-41-87-69(224)20-111(275-87)206-12-4-103(163)189-152(206)231/h4-19,37-39,57-65,69-102,111-127,223-224H,20-36,40-56H2,1-3H3,(H,242,323)(H,243,324)(H,244,325)(H,245,326)(H,246,327)(H,247,328)(H,248,329)(H,249,330)(H,250,331)(H,251,332)(H,252,333)(H,253,334)(H,254,335)(H,255,336)(H,256,337)(H,257,338)(H2,163,189,231)(H2,164,190,232)(H2,165,191,233)(H2,166,192,234)(H2,167,193,235)(H2,168,194,236)(H2,169,195,237)(H2,170,196,238)(H2,171,177,180)(H2,172,178,181)(H2,173,179,182)(H,203,225,239)(H,204,226,240)(H,205,227,241)(H3,174,197,200,228)(H3,175,198,201,229)(H3,176,199,202,230)

InChIKey

DGDYCRJVPWRRFN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204724