Dbm-2175

Structural Information

Molecular Formula

C₂₀₃H₂₅₀N₆₉O₈₈P₁₇S₁₇

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)CO)S)N1C=NC2=C1N=C(NC2=O)N)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=CC(=NC1=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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(125(335-148)71-320-366(297,383)348-106-44-145(257-37-30-138(208)239-198(257)286)334-124(106)69-318-372(303,389)358-117-55-156(272-90-234-164-182(272)245-193(218)249-189(164)281)343-133(117)78-326-376(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)352-369(300,386)315-66-121-104(42-143(331-121)255-35-28-136(206)237-196(255)284)346-364(295,381)313-64-119-103(41-142(329-119)254-34-27-135(205)236-195(254)283)345-363(294,380)314-65-120-107(45-146(330-120)258-38-31-139(209)240-199(258)287)349-367(298,384)321-73-129-113(51-152(339-129)268-86-230-160-174(214)222-82-226-178(160)268)355-374(305,391)324-75-131-116(54-155(341-131)271-89-233-163-181(271)244-192(217)248-188(163)280)357-375(306,392)325-76-132-115(53-154(342-132)270-88-232-162-180(270)243-191(216)247-187(162)279)356-371(302,388)317-68-123-105(43-144(333-123)256-36-29-137(207)238-197(256)285)347-365(296,382)319-70-126-110(48-149(336-126)263-57-92(2)184(276)251-202(263)290)353-370(301,387)316-67-122-108(46-147(332-122)259-39-32-140(210)241-200(259)288)350-368(299,385)322-72-128-112(50-151(338-128)267-85-229-159-173(213)221-81-225-177(159)267)354-373(304,390)323-74-130-114(52-153(340-130)269-87-231-161-179(269)242-190(215)246-186(161)278)344-361(292,378)311-62-101-170(168(310-5)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)360-377(308,394)327-77-127-111(49-150(337-127)264-58-93(3)185(277)252-203(264)291)351-362(293,379)312-63-118-102(274)40-141(328-118)253-33-26-134(204)235-194(253)282/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

BULHCIZOLZBLRR-UHFFFAOYSA-N

Compound name

1-[4-[[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-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-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]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[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]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16207215