Isis 4015

Structural Information

Molecular Formula

C₁₉₇H₂₄₆N₈₂O₁₀₄P₂₀S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(O)O)N5C=NC6=C5N=C(NC6=O)N)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=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=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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)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=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=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C197H246N82O104P20S19/c1-70-31-263(194(299)256-165(70)281)121-15-78(101(351-121)42-332-393(314,412)372-82-21-127(353-95(82)36-325-384(303,304)305)270-60-221-140-155(270)235-181(204)246-170(140)286)368-389(310,408)330-40-99-80(17-123(349-99)265-33-72(3)167(283)258-196(265)301)370-391(312,410)337-48-107-88(25-131(358-107)274-64-225-144-159(274)239-185(208)250-174(144)290)380-401(322,420)342-52-111-91(28-134(362-111)277-67-228-147-162(277)242-188(211)253-177(147)293)378-398(319,417)335-45-104-84(20-126(355-104)268-58-219-138-151(202)215-56-217-153(138)268)375-396(317,415)339-50-109-90(27-133(360-109)276-66-227-146-161(276)241-187(210)252-176(146)292)377-397(318,416)334-44-103-83(19-125(354-103)267-57-218-137-150(201)214-55-216-152(137)267)374-394(315,413)329-39-98-76(13-119(348-98)261-9-6-115(199)232-192(261)297)366-387(308,406)327-37-96-75(12-118(346-96)260-8-5-114(198)231-191(260)296)365-386(307,405)328-38-97-77(14-120(347-97)262-10-7-116(200)233-193(262)298)367-388(309,407)336-47-106-87(24-130(357-106)273-63-224-143-158(273)238-184(207)249-173(143)289)379-400(321,419)343-54-113-93(30-136(364-113)279-69-230-149-164(279)244-190(213)255-179(149)295)383-403(324,422)341-51-110-86(23-129(361-110)272-62-223-142-157(272)237-183(206)248-172(142)288)376-395(316,414)333-43-102-79(16-122(352-102)264-32-71(2)166(282)257-195(264)300)369-390(311,409)331-41-100-81(18-124(350-100)266-34-73(4)168(284)259-197(266)302)371-392(313,411)338-49-108-89(26-132(359-108)275-65-226-145-160(275)240-186(209)251-175(145)291)381-402(323,421)344-53-112-92(29-135(363-112)278-68-229-148-163(278)243-189(212)254-178(148)294)382-399(320,418)340-46-105-85(22-128(356-105)271-61-222-141-156(271)236-182(205)247-171(141)287)373-385(306,404)326-35-94-74(280)11-117(345-94)269-59-220-139-154(269)234-180(203)245-169(139)285/h5-10,31-34,55-69,74-113,117-136,280H,11-30,35-54H2,1-4H3,(H,306,404)(H,307,405)(H,308,406)(H,309,407)(H,310,408)(H,311,409)(H,312,410)(H,313,411)(H,314,412)(H,315,413)(H,316,414)(H,317,415)(H,318,416)(H,319,417)(H,320,418)(H,321,419)(H,322,420)(H,323,421)(H,324,422)(H2,198,231,296)(H2,199,232,297)(H2,200,233,298)(H2,201,214,216)(H2,202,215,217)(H,256,281,299)(H,257,282,300)(H,258,283,301)(H,259,284,302)(H2,303,304,305)(H3,203,234,245,285)(H3,204,235,246,286)(H3,205,236,247,287)(H3,206,237,248,288)(H3,207,238,249,289)(H3,208,239,250,290)(H3,209,240,251,291)(H3,210,241,252,292)(H3,211,242,253,293)(H3,212,243,254,294)(H3,213,244,255,295)

InChIKey

PGSGARMPEVSILG-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204693