Isis 10552

Structural Information

Molecular Formula

C₁₇₁H₂₂₀N₆₃O₈₈P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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)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/C171H220N63O88P17S17/c1-71-40-226(169(251)214-153(71)237)128-31-83(102(298-128)53-280-334(265,351)316-85-33-130(228-42-73(3)155(239)216-171(228)253)299-103(85)54-281-333(264,350)315-84-32-129(227-41-72(2)154(238)215-170(227)252)297-101(84)52-279-327(258,344)309-76-24-121(219-15-6-112(174)203-162(219)244)290-94(76)45-272-324(255,341)306-75-23-120(288-92(75)43-235)218-14-5-111(173)202-161(218)243)314-332(263,349)275-48-97-80(28-125(293-97)223-19-10-116(178)207-166(223)248)312-330(261,347)286-59-108-90(38-135(304-108)233-69-199-141-151(233)210-158(185)212-156(141)240)321-337(268,354)278-51-100-82(30-127(296-100)225-21-12-118(180)209-168(225)250)313-331(262,348)287-60-109-91(39-136(305-109)234-70-200-142-152(234)211-159(186)213-157(142)241)322-339(270,356)285-58-107-88(36-133(303-107)231-67-197-139-145(183)189-63-193-149(139)231)319-335(266,352)276-49-98-78(26-123(294-98)221-17-8-114(176)205-164(221)246)308-326(257,343)273-46-95-77(25-122(291-95)220-16-7-113(175)204-163(220)245)307-325(256,342)274-47-96-79(27-124(292-96)222-18-9-115(177)206-165(222)247)310-329(260,346)283-56-105-89(37-134(301-105)232-68-198-140-146(184)190-64-194-150(140)232)320-338(269,355)284-57-106-87(35-132(302-106)230-66-196-138-144(182)188-62-192-148(138)230)318-336(267,353)277-50-99-81(29-126(295-99)224-20-11-117(179)208-167(224)249)311-328(259,345)282-55-104-86(34-131(300-104)229-65-195-137-143(181)187-61-191-147(137)229)317-323(254,340)271-44-93-74(236)22-119(289-93)217-13-4-110(172)201-160(217)242/h4-21,40-42,61-70,74-109,119-136,235-236H,22-39,43-60H2,1-3H3,(H,254,340)(H,255,341)(H,256,342)(H,257,343)(H,258,344)(H,259,345)(H,260,346)(H,261,347)(H,262,348)(H,263,349)(H,264,350)(H,265,351)(H,266,352)(H,267,353)(H,268,354)(H,269,355)(H,270,356)(H2,172,201,242)(H2,173,202,243)(H2,174,203,244)(H2,175,204,245)(H2,176,205,246)(H2,177,206,247)(H2,178,207,248)(H2,179,208,249)(H2,180,209,250)(H2,181,187,191)(H2,182,188,192)(H2,183,189,193)(H2,184,190,194)(H,214,237,251)(H,215,238,252)(H,216,239,253)(H3,185,210,212,240)(H3,186,211,213,241)

InChIKey

MTKVGHIZKFVCKH-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-[[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]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-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204726