Dbm-2239

Structural Information

Molecular Formula

C₂₀₃H₂₅₀N₆₉O₉₀P₁₇S₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(OC5C(N(CC(C5OC)N6C=NC7=C(N=CN=C76)N)C(C8=CC=CC=C8)C9=CC=CC=C9)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C203H250N69O90P17S15/c1-91-56-262(201(289)250-183(91)275)148-42-104(347-363(292,293)313-64-119-102(274)40-141(331-119)253-33-26-134(204)235-194(253)282)121(338-148)66-317-367(298,382)357-114-51-152(268-86-230-160-174(214)222-82-226-178(160)268)342-130(114)75-326-376(307,391)359-116-54-155(271-89-233-163-181(271)244-192(217)248-188(163)280)344-132(116)77-328-378(309,393)361-170-101(261(166(96-22-14-8-15-23-96)97-24-16-9-17-25-97)60-99(168(170)312-5)266-84-228-158-172(212)220-80-224-176(158)266)63-316-366(297,381)349-106-44-143(255-35-28-136(206)237-196(255)284)333-123(106)68-320-372(303,387)354-111-49-149(263-57-92(2)184(276)251-202(263)290)339-128(111)73-325-371(302,386)353-110-48-147(259-39-32-140(210)241-200(259)288)337-127(110)72-323-375(306,390)358-115-53-154(270-88-232-162-180(270)243-191(216)247-187(162)279)343-131(115)76-327-377(308,392)360-117-55-156(272-90-234-164-182(272)245-193(218)249-189(164)281)345-133(117)78-329-379(310,394)362-169-100(260(165(94-18-10-6-11-19-94)95-20-12-7-13-21-95)59-98(167(169)311-4)265-83-227-157-171(211)219-79-223-175(157)265)62-315-365(296,380)348-105-43-142(254-34-27-135(205)236-195(254)283)332-122(105)67-318-368(299,383)350-107-45-144(256-36-29-137(207)238-197(256)285)334-124(107)69-319-369(300,384)351-108-46-145(257-37-30-138(208)239-198(257)286)335-125(108)70-321-373(304,388)355-112-50-150(264-58-93(3)185(277)252-203(264)291)340-129(112)74-324-370(301,385)352-109-47-146(258-38-31-139(209)240-199(258)287)336-126(109)71-322-374(305,389)356-113-52-153(269-87-231-161-179(269)242-190(215)246-186(161)278)341-120(113)65-314-364(294,295)346-103-41-151(330-118(103)61-273)267-85-229-159-173(213)221-81-225-177(159)267/h6-39,56-58,79-90,98-133,141-156,165-170,273-274H,40-55,59-78H2,1-5H3,(H,292,293)(H,294,295)(H,296,380)(H,297,381)(H,298,382)(H,299,383)(H,300,384)(H,301,385)(H,302,386)(H,303,387)(H,304,388)(H,305,389)(H,306,390)(H,307,391)(H,308,392)(H,309,393)(H,310,394)(H2,204,235,282)(H2,205,236,283)(H2,206,237,284)(H2,207,238,285)(H2,208,239,286)(H2,209,240,287)(H2,210,241,288)(H2,211,219,223)(H2,212,220,224)(H2,213,221,225)(H2,214,222,226)(H,250,275,289)(H,251,276,290)(H,252,277,291)(H3,215,242,246,278)(H3,216,243,247,279)(H3,217,244,248,280)(H3,218,245,249,281)

InChIKey

JJQAYGODBAPLJT-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207229