Dbm-2237

Structural Information

Molecular Formula

C₂₀₃H₂₅₀N₆₉O₉₄P₁₇S₁₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(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(=O)(O)OC1CC(OC1COP(=O)(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/C203H250N69O94P17S11/c1-91-56-262(201(289)250-183(91)275)148-43-105(352-367(292,293)317-64-119-102(274)40-141(335-119)253-33-26-134(204)235-194(253)282)121(342-148)66-320-370(298,299)353-106-44-152(268-86-230-160-174(214)222-82-226-178(160)268)345-122(106)67-321-371(300,301)355-108-46-154(270-88-232-162-180(270)243-191(216)247-187(162)279)347-125(108)70-332-382(313,393)365-169-100(260(165(94-18-10-6-11-19-94)95-20-12-7-13-21-95)59-98(167(169)315-4)265-83-227-157-171(211)219-79-223-175(157)265)62-323-373(304,384)357-110-48-144(256-36-29-137(207)238-197(256)285)338-127(110)72-328-379(310,390)362-115-53-150(264-58-93(3)185(277)252-203(264)291)344-131(115)76-330-377(308,388)360-113-51-147(259-39-32-140(210)241-200(259)288)341-130(113)75-329-380(311,391)363-116-54-155(271-89-233-163-181(271)244-192(217)248-188(163)280)348-132(116)77-331-381(312,392)364-117-55-156(272-90-234-164-182(272)245-193(218)249-189(164)281)349-133(117)78-333-383(314,394)366-170-101(261(166(96-22-14-8-15-23-96)97-24-16-9-17-25-97)60-99(168(170)316-5)266-84-228-158-172(212)220-80-224-176(158)266)63-324-374(305,385)356-109-47-143(255-35-28-136(206)237-196(255)284)337-126(109)71-325-375(306,386)358-111-49-145(257-37-30-138(208)239-198(257)286)339-128(111)73-326-376(307,387)359-112-50-146(258-38-31-139(209)240-199(258)287)340-129(112)74-327-378(309,389)361-114-52-149(263-57-92(2)184(276)251-202(263)290)343-124(114)69-322-372(302,303)351-104-42-142(254-34-27-135(205)236-195(254)283)336-120(104)65-319-369(296,297)354-107-45-153(269-87-231-161-179(269)242-190(215)246-186(161)278)346-123(107)68-318-368(294,295)350-103-41-151(334-118(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,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,384)(H,305,385)(H,306,386)(H,307,387)(H,308,388)(H,309,389)(H,310,390)(H,311,391)(H,312,392)(H,313,393)(H,314,394)(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

IHPNAGSOZFAHNP-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-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]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-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16207227