Isis 9558

Structural Information

Molecular Formula

C₁₅₆H₁₉₇N₆₀O₈₁P₁₅S₁₅

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)O)S

InChI

InChI=1S/C156H197N60O81P15S15/c1-59-29-205(153(233)197-133(59)219)104-19-69(85(273-104)39-253-299(238,314)283-64-14-110(267-79(64)33-217)212-54-176-118-128(212)186-144(164)192-138(118)224)289-304(243,319)263-45-91-75(25-111(279-91)213-55-177-119-129(213)187-145(165)193-139(119)225)294-308(247,323)256-37-83-66(16-101(271-83)202-10-6-96(158)182-150(202)230)285-300(239,315)258-40-86-70(20-105(274-86)206-30-60(2)134(220)198-154(206)234)288-303(242,318)254-36-82-67(17-102(270-82)203-11-7-97(159)183-151(203)231)286-301(240,316)262-44-90-74(24-109(278-90)210-52-174-116-124(162)170-50-172-126(116)210)293-310(249,325)259-41-87-71(21-106(275-87)207-31-61(3)135(221)199-155(207)235)290-306(245,321)265-47-93-78(28-114(281-93)216-58-180-122-132(216)190-148(168)196-142(122)228)297-312(251,327)266-48-94-77(27-113(282-94)215-57-179-121-131(215)189-147(167)195-141(121)227)296-311(250,326)260-42-88-72(22-107(276-88)208-32-62(4)136(222)200-156(208)236)291-305(244,320)264-46-92-76(26-112(280-92)214-56-178-120-130(214)188-146(166)194-140(120)226)295-309(248,324)257-38-84-68(18-103(272-84)204-12-8-98(160)184-152(204)232)287-302(241,317)261-43-89-73(23-108(277-89)209-51-173-115-123(161)169-49-171-125(115)209)292-307(246,322)255-35-81-65(15-100(269-81)201-9-5-95(157)181-149(201)229)284-298(237,313)252-34-80-63(218)13-99(268-80)211-53-175-117-127(211)185-143(163)191-137(117)223/h5-12,29-32,49-58,63-94,99-114,217-218H,13-28,33-48H2,1-4H3,(H,237,313)(H,238,314)(H,239,315)(H,240,316)(H,241,317)(H,242,318)(H,243,319)(H,244,320)(H,245,321)(H,246,322)(H,247,323)(H,248,324)(H,249,325)(H,250,326)(H,251,327)(H2,157,181,229)(H2,158,182,230)(H2,159,183,231)(H2,160,184,232)(H2,161,169,171)(H2,162,170,172)(H,197,219,233)(H,198,220,234)(H,199,221,235)(H,200,222,236)(H3,163,185,191,223)(H3,164,186,192,224)(H3,165,187,193,225)(H3,166,188,194,226)(H3,167,189,195,227)(H3,168,190,196,228)

InChIKey

NZVRVRRWHAYDRJ-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-hydroxyoxolan-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 16204731