Isis 10551

Structural Information

Molecular Formula

C₁₅₃H₁₉₆N₅₇O₇₈P₁₅S₁₅

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=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O)S

InChI

InChI=1S/C153H196N57O78P15S15/c1-63-34-202(151(225)192-137(63)213)113-26-74(90(266-113)45-244-290(229,305)274-67-19-106(258-82(67)37-211)195-11-4-98(154)181-144(195)218)282-297(236,312)251-47-92-76(28-115(268-92)204-36-65(3)139(215)194-153(204)227)283-298(237,313)252-46-91-75(27-114(267-91)203-35-64(2)138(214)193-152(203)226)281-296(235,311)247-42-87-72(24-111(263-87)200-16-9-103(159)186-149(200)223)279-294(233,309)256-51-96-80(32-119(272-96)209-61-179-125-135(209)188-142(165)190-140(125)216)287-301(240,316)250-44-89-73(25-112(265-89)201-17-10-104(160)187-150(201)224)280-295(234,310)257-52-97-81(33-120(273-97)210-62-180-126-136(210)189-143(166)191-141(126)217)288-303(242,318)255-50-95-78(30-117(271-95)207-59-177-123-129(163)169-55-173-133(123)207)285-300(239,315)249-43-88-70(22-109(264-88)198-14-7-101(157)184-147(198)221)277-292(231,307)245-40-85-69(21-108(261-85)197-13-6-100(156)183-146(197)220)276-291(230,306)246-41-86-71(23-110(262-86)199-15-8-102(158)185-148(199)222)278-293(232,308)253-48-93-79(31-118(269-93)208-60-178-124-130(164)170-56-174-134(124)208)286-302(241,317)254-49-94-77(29-116(270-94)206-58-176-122-128(162)168-54-172-132(122)206)284-299(238,314)248-39-84-68(20-107(260-84)196-12-5-99(155)182-145(196)219)275-289(228,304)243-38-83-66(212)18-105(259-83)205-57-175-121-127(161)167-53-171-131(121)205/h4-17,34-36,53-62,66-97,105-120,211-212H,18-33,37-52H2,1-3H3,(H,228,304)(H,229,305)(H,230,306)(H,231,307)(H,232,308)(H,233,309)(H,234,310)(H,235,311)(H,236,312)(H,237,313)(H,238,314)(H,239,315)(H,240,316)(H,241,317)(H,242,318)(H2,154,181,218)(H2,155,182,219)(H2,156,183,220)(H2,157,184,221)(H2,158,185,222)(H2,159,186,223)(H2,160,187,224)(H2,161,167,171)(H2,162,168,172)(H2,163,169,173)(H2,164,170,174)(H,192,213,225)(H,193,214,226)(H,194,215,227)(H3,165,188,190,216)(H3,166,189,191,217)

InChIKey

CIACXQYYASUWMU-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-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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-[[[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 16131633