Dbm-2181

Structural Information

Molecular Formula

C₂₀₃H₂₅₀N₆₉O₈₈P₁₇S₁₇

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(=S)(O)OC9CC(OC9COP(=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)(OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)CO)S)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)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C203H250N69O88P17S17/c1-91-56-262(201(289)250-183(91)275)148-47-109(350-362(293,379)312-63-118-102(274)40-141(328-118)253-33-26-134(204)235-194(253)282)125(335-148)70-321-372(303,389)353-112-50-151(267-85-229-159-173(213)221-81-225-177(159)267)339-129(112)74-323-374(305,391)356-115-53-154(270-88-232-162-180(270)243-191(216)247-187(162)279)340-130(115)75-324-373(304,390)354-113-51-152(268-86-230-160-174(214)222-82-226-178(160)268)338-128(113)73-322-367(298,384)349-108-46-147(259-39-32-140(210)241-200(259)288)332-122(108)67-316-369(300,386)352-111-49-150(264-58-93(3)185(277)252-203(264)291)337-127(111)71-319-365(296,382)347-106-44-145(257-37-30-138(208)239-198(257)286)333-123(106)68-317-370(301,387)355-114-52-153(269-87-231-161-179(269)242-190(215)246-186(161)278)341-131(114)76-325-375(306,392)358-117-55-156(272-90-234-164-182(272)245-193(218)249-189(164)281)343-133(117)78-327-377(308,394)360-170-101(261(166(96-22-14-8-15-23-96)97-24-16-9-17-25-97)60-99(168(170)310-5)266-84-228-158-172(212)220-80-224-176(158)266)62-311-361(292,378)344-103-41-142(254-34-27-135(205)236-195(254)283)329-119(103)64-313-363(294,380)345-104-42-143(255-35-28-136(206)237-196(255)284)330-120(104)65-314-364(295,381)346-105-43-144(256-36-29-137(207)238-197(256)285)331-121(105)66-315-368(299,385)351-110-48-149(263-57-92(2)184(276)251-202(263)290)336-126(110)72-320-366(297,383)348-107-45-146(258-38-31-139(209)240-199(258)287)334-124(107)69-318-371(302,388)357-116-54-155(271-89-233-163-181(271)244-192(217)248-188(163)280)342-132(116)77-326-376(307,393)359-169-100(61-273)260(165(94-18-10-6-11-19-94)95-20-12-7-13-21-95)59-98(167(169)309-4)265-83-227-157-171(211)219-79-223-175(157)265/h6-39,56-58,79-90,98-133,141-156,165-170,273-274H,40-55,59-78H2,1-5H3,(H,292,378)(H,293,379)(H,294,380)(H,295,381)(H,296,382)(H,297,383)(H,298,384)(H,299,385)(H,300,386)(H,301,387)(H,302,388)(H,303,389)(H,304,390)(H,305,391)(H,306,392)(H,307,393)(H,308,394)(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

SXPZIHTWIJQYNX-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16134242