Isis 6483

Structural Information

Molecular Formula

C₁₉₇H₂₄₃N₈₈O₉₉P₁₉S₁₉

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)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=O)(OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)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)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C197H243N88O99P19S19/c1-68-29-269(196(306)264-165(68)288)116-13-74(369-389(312,408)330-34-93-72(11-114(349-93)267-7-4-111(199)236-194(267)304)367-387(310,406)329-33-92-73(12-115(348-92)268-8-5-112(200)237-195(268)305)368-388(311,407)331-35-94-75(14-117(350-94)270-30-69(2)166(289)265-197(270)307)370-390(313,409)335-41-100-81(20-124(356-100)277-59-226-139-156(277)242-184(207)255-171(139)294)377-397(320,416)340-45-104-82(21-125(360-104)278-60-227-140-157(278)243-185(208)256-172(140)295)376-395(318,414)334-38-97-77(16-119(353-97)272-54-221-134-149(202)217-52-219-151(134)272)373-392(315,411)336-42-101-83(22-126(357-101)279-61-228-141-158(279)244-186(209)257-173(141)296)378-396(319,415)338-40-99-78(17-121(355-99)274-56-223-136-153(274)239-181(204)252-168(136)291)371-385(308,404)327-32-91-70(287)9-113(347-91)266-6-3-110(198)235-193(266)303)95(351-116)36-332-391(314,410)374-80-19-123(276-58-225-138-155(276)241-183(206)254-170(138)293)359-103(80)44-339-398(321,417)380-85-24-128(281-63-230-143-160(281)246-188(211)259-175(143)298)362-106(85)47-342-400(323,419)382-87-26-130(283-65-232-145-162(283)248-190(213)261-177(145)300)364-108(87)49-344-402(325,421)384-89-28-132(285-67-234-147-164(285)250-192(215)263-179(147)302)365-109(89)50-345-403(326,422)383-88-27-131(284-66-233-146-163(284)249-191(214)262-178(146)301)363-107(88)48-343-401(324,420)381-86-25-129(282-64-231-144-161(282)247-189(212)260-176(144)299)361-105(86)46-341-399(322,418)379-84-23-127(280-62-229-142-159(280)245-187(210)258-174(142)297)358-102(84)43-337-393(316,412)372-76-15-118(271-53-220-133-148(201)216-51-218-150(133)271)352-96(76)37-333-394(317,413)375-79-18-122(275-57-224-137-154(275)240-182(205)253-169(137)292)354-98(79)39-328-386(309,405)366-71-10-120(346-90(71)31-286)273-55-222-135-152(273)238-180(203)251-167(135)290/h3-8,29-30,51-67,70-109,113-132,286-287H,9-28,31-50H2,1-2H3,(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H,314,410)(H,315,411)(H,316,412)(H,317,413)(H,318,414)(H,319,415)(H,320,416)(H,321,417)(H,322,418)(H,323,419)(H,324,420)(H,325,421)(H,326,422)(H2,198,235,303)(H2,199,236,304)(H2,200,237,305)(H2,201,216,218)(H2,202,217,219)(H,264,288,306)(H,265,289,307)(H3,203,238,251,290)(H3,204,239,252,291)(H3,205,240,253,292)(H3,206,241,254,293)(H3,207,242,255,294)(H3,208,243,256,295)(H3,209,244,257,296)(H3,210,245,258,297)(H3,211,246,259,298)(H3,212,247,260,299)(H3,213,248,261,300)(H3,214,249,262,301)(H3,215,250,263,302)

InChIKey

NWQCZQQENVHVED-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204699