Dbm-2238

Structural Information

Molecular Formula

C₂₀₃H₂₅₀N₆₉O₉₆P₁₇S₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=NC7=C(N=CN=C76)N)N8C=NC9=C8N=C(NC9=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(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)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(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(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C203H250N69O96P17S9/c1-91-56-262(201(289)250-183(91)275)148-43-105(353-370(294,295)320-66-121-111(49-144(339-121)256-36-29-137(207)238-197(256)285)360-378(309,387)328-63-101-170(168(318-5)99(266-84-228-158-172(212)220-80-224-176(158)266)60-261(101)166(96-22-14-8-15-23-96)97-24-16-9-17-25-97)367-375(304,305)325-71-126-116(54-155(347-126)271-89-233-163-181(271)244-192(217)248-188(163)280)365-384(315,393)334-76-131-107(45-152(349-131)268-86-230-160-174(214)222-82-226-178(160)268)355-374(302,303)324-70-125-115(53-150(344-125)264-58-93(3)185(277)252-203(264)291)364-379(310,388)329-64-119-102(274)40-141(337-119)253-33-26-134(204)235-194(253)282)129(345-148)74-332-382(313,391)363-114-52-147(259-39-32-140(210)241-200(259)288)342-124(114)69-323-373(300,301)357-109-47-154(270-88-232-162-180(270)243-191(216)247-187(162)279)351-133(109)78-335-385(316,394)366-117-55-156(272-90-234-164-182(272)245-193(218)249-189(164)281)348-127(117)72-326-376(306,307)368-169-100(260(165(94-18-10-6-11-19-94)95-20-12-7-13-21-95)59-98(167(169)317-4)265-83-227-157-171(211)219-79-223-175(157)265)62-327-377(308,386)359-110-48-143(255-35-28-136(206)237-196(255)284)338-120(110)65-319-369(292,293)352-104-42-142(254-34-27-135(205)236-195(254)283)343-128(104)73-331-381(312,390)361-112-50-145(257-37-30-138(208)239-198(257)286)340-122(112)67-321-371(296,297)354-106-44-149(263-57-92(2)184(276)251-202(263)290)346-130(106)75-333-383(314,392)362-113-51-146(258-38-31-139(209)240-199(258)287)341-123(113)68-322-372(298,299)356-108-46-153(269-87-231-161-179(269)242-190(215)246-186(161)278)350-132(108)77-330-380(311,389)358-103-41-151(336-118(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,304,305)(H,306,307)(H,308,386)(H,309,387)(H,310,388)(H,311,389)(H,312,390)(H,313,391)(H,314,392)(H,315,393)(H,316,394)(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

DHPZSSQLHCVJOF-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207228