Isis 9557

Structural Information

Molecular Formula

C₁₆₆H₂₀₉N₆₅O₈₆P₁₆S₁₆

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(=S)(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)OP(=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=CC(=NC1=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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C166H209N65O86P16S16/c1-62-30-219(163(249)211-141(62)234)109-19-72(89(291-109)40-270-319(254,335)302-67-14-115(285-83(67)34-232)226-56-187-124-135(226)198-153(174)205-146(124)239)308-325(260,341)281-47-96-79(26-117(298-96)228-58-189-126-137(228)200-155(176)207-148(126)241)314-329(264,345)273-38-87-68(15-105(289-87)215-9-5-100(167)193-159(215)245)303-320(255,336)275-41-90-73(20-110(292-90)220-31-63(2)142(235)212-164(220)250)307-324(259,340)271-36-85-69(16-106(287-85)216-10-6-101(168)194-160(216)246)304-321(256,337)279-45-94-77(24-114(296-94)224-54-185-122-131(172)181-52-183-133(122)224)313-331(266,347)276-42-91-74(21-111(293-91)221-32-64(3)143(236)213-165(221)251)309-327(262,343)283-49-98-82(29-120(300-98)231-61-192-129-140(231)203-158(179)210-151(129)244)317-333(268,349)284-50-99-81(28-119(301-99)230-60-191-128-139(230)202-157(178)209-150(128)243)316-332(267,348)277-43-92-75(22-112(294-92)222-33-65(4)144(237)214-166(222)252)310-326(261,342)282-48-97-80(27-118(299-97)229-59-190-127-138(229)201-156(177)208-149(127)242)315-330(265,346)274-39-88-70(17-107(290-88)217-11-7-102(169)195-161(217)247)305-322(257,338)278-44-93-76(23-113(295-93)223-53-184-121-130(171)180-51-182-132(121)223)312-328(263,344)272-37-86-71(18-108(288-86)218-12-8-103(170)196-162(218)248)306-323(258,339)280-46-95-78(25-116(297-95)227-57-188-125-136(227)199-154(175)206-147(125)240)311-318(253,334)269-35-84-66(233)13-104(286-84)225-55-186-123-134(225)197-152(173)204-145(123)238/h5-12,30-33,51-61,66-99,104-120,232-233H,13-29,34-50H2,1-4H3,(H,253,334)(H,254,335)(H,255,336)(H,256,337)(H,257,338)(H,258,339)(H,259,340)(H,260,341)(H,261,342)(H,262,343)(H,263,344)(H,264,345)(H,265,346)(H,266,347)(H,267,348)(H,268,349)(H2,167,193,245)(H2,168,194,246)(H2,169,195,247)(H2,170,196,248)(H2,171,180,182)(H2,172,181,183)(H,211,234,249)(H,212,235,250)(H,213,236,251)(H,214,237,252)(H3,173,197,204,238)(H3,174,198,205,239)(H3,175,199,206,240)(H3,176,200,207,241)(H3,177,201,208,242)(H3,178,202,209,243)(H3,179,203,210,244)

InChIKey

WANJGXQVSODSJA-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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(4-amino-2-oxopyrimidin-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]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-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-hydroxyphosphinothioyl]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 16204730