Isis 13312

Structural Information

Molecular Formula

C₂₁₀H₂₇₆N₆₃O₁₁₆P₂₁S₂₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)O)N7C=NC8=C7N=C(NC8=O)N)N9C=C(C(=NC9=O)N)C)N1C=NC2=C1N=C(NC2=O)N)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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=NC1=O)N)C)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=C(C(=NC1=O)N)C)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=C(C(=NC1=O)N)C)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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C210H276N63O116P21S21/c1-80-38-253(195(290)227-164(80)211)139-18-97(370-391(308,412)329-54-117-96(274)17-138(349-117)269-75-222-159-170(269)233-190(217)238-185(159)285)119(350-139)56-343-408(325,429)387-114-35-156(271-77-224-161-172(271)235-192(219)240-187(161)287)368-136(114)73-347-405(322,426)384-111-32-153(267-52-94(15)183(283)251-209(267)304)363-132(111)69-340-401(318,422)381-108-29-150(264-49-91(12)180(280)248-206(264)301)359-128(108)65-335-394(311,415)373-100-21-142(256-41-83(4)167(214)230-198(256)293)353-122(100)59-332-398(315,419)378-105-26-147(261-46-88(9)177(277)245-203(261)298)361-130(105)67-338-400(317,421)380-107-28-149(263-48-90(11)179(279)247-205(263)300)358-127(107)64-334-393(310,414)372-99-20-141(255-40-82(3)166(213)229-197(255)292)352-121(99)58-331-397(314,418)377-104-25-146(260-45-87(8)176(276)244-202(260)297)360-129(104)66-337-399(316,420)379-106-27-148(262-47-89(10)178(278)246-204(262)299)357-126(106)63-333-392(309,413)371-98-19-140(254-39-81(2)165(212)228-196(254)291)351-120(98)57-330-396(313,417)376-103-24-145(259-44-86(7)175(275)243-201(259)296)356-125(103)62-336-395(312,416)374-101-22-143(257-42-84(5)168(215)231-199(257)294)355-124(101)61-344-409(326,430)388-115-36-157(272-78-225-162-173(272)236-193(220)241-188(162)288)369-137(115)74-348-406(323,427)385-112-33-154(268-53-95(16)184(284)252-210(268)305)364-133(112)70-341-402(319,423)382-109-30-151(265-50-92(13)181(281)249-207(265)302)362-131(109)68-339-403(320,424)383-110-31-152(266-51-93(14)182(282)250-208(266)303)365-134(110)71-345-410(327,431)389-116-37-158(273-79-226-163-174(273)237-194(221)242-189(163)289)367-135(116)72-346-404(321,425)375-102-23-144(258-43-85(6)169(216)232-200(258)295)354-123(102)60-342-407(324,428)386-113-34-155(366-118(113)55-328-390(306,307)411)270-76-223-160-171(270)234-191(218)239-186(160)286/h38-53,75-79,96-158,274H,17-37,54-74H2,1-16H3,(H,308,412)(H,309,413)(H,310,414)(H,311,415)(H,312,416)(H,313,417)(H,314,418)(H,315,419)(H,316,420)(H,317,421)(H,318,422)(H,319,423)(H,320,424)(H,321,425)(H,322,426)(H,323,427)(H,324,428)(H,325,429)(H,326,430)(H,327,431)(H2,211,227,290)(H2,212,228,291)(H2,213,229,292)(H2,214,230,293)(H2,215,231,294)(H2,216,232,295)(H,243,275,296)(H,244,276,297)(H,245,277,298)(H,246,278,299)(H,247,279,300)(H,248,280,301)(H,249,281,302)(H,250,282,303)(H,251,283,304)(H,252,284,305)(H2,306,307,411)(H3,217,233,238,285)(H3,218,234,239,286)(H3,219,235,240,287)(H3,220,236,241,288)(H3,221,237,242,289)

InChIKey

BRPPAHOOOYPKJI-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16130576