Pb2-loop-as

Structural Information

Molecular Formula

C₁₉₅H₂₄₆N₇₅O₁₁₈P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5CO[P+](=O)O)N6C=CC(=NC6=O)N)N7C=CC(=NC7=O)N)N8C=CC(=NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(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(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C195H245N75O118P20/c1-78-36-256(191(285)246-175(78)272)134-22-89(375-396(304,305)334-45-107-87(20-132(354-107)254-14-9-126(199)238-189(254)283)373-394(300,301)341-52-114-97(30-142(361-114)265-72-229-152-162(205)215-65-222-169(152)265)386-406(324,325)349-58-120-100(33-145(367-120)268-75-232-155-172(268)240-183(208)243-180(155)277)380-390(292,293)331-42-103-83(271)16-128(350-103)261-68-225-148-158(201)211-61-218-165(148)261)110(357-134)48-337-397(306,307)376-90-23-135(257-37-79(2)176(273)247-192(257)286)360-113(90)51-340-403(318,319)383-96-29-141(264-71-228-151-161(204)214-64-221-168(151)264)363-116(96)54-343-404(320,321)384-98-31-143(266-73-230-153-163(206)216-66-223-170(153)266)364-117(98)55-344-405(322,323)385-99-32-144(267-74-231-154-164(207)217-67-224-171(154)267)366-119(99)57-346-407(326,327)387-101-34-146(269-76-233-156-173(269)241-184(209)244-181(156)278)368-121(101)59-347-395(302,303)374-88-21-133(255-15-10-127(200)239-190(255)284)355-108(88)46-335-401(314,315)381-94-27-139(262-69-226-149-159(202)212-62-219-166(149)262)365-118(94)56-345-408(328,329)388-102-35-147(270-77-234-157-174(270)242-185(210)245-182(157)279)369-122(102)60-348-400(312,313)379-93-26-138(260-40-82(5)179(276)250-195(260)289)358-111(93)49-338-398(308,309)377-91-24-136(258-38-80(3)177(274)248-193(258)287)359-112(91)50-339-402(316,317)382-95-28-140(263-70-227-150-160(203)213-63-220-167(150)263)362-115(95)53-342-399(310,311)378-92-25-137(259-39-81(4)178(275)249-194(259)288)356-109(92)47-336-393(298,299)372-86-19-131(253-13-8-125(198)237-188(253)282)353-106(86)44-333-392(296,297)371-85-18-130(252-12-7-124(197)236-187(252)281)352-105(85)43-332-391(294,295)370-84-17-129(351-104(84)41-330-389(290)291)251-11-6-123(196)235-186(251)280/h6-15,36-40,61-77,83-122,128-147,271H,16-35,41-60H2,1-5H3,(H57-,196,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215,216,217,218,219,220,221,222,223,224,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,272,273,274,275,276,277,278,279,280,281,282,283,284,285,286,287,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,324,325,326,327,328,329)/p+1

InChIKey

XBKXERWDIQPYJV-UHFFFAOYSA-O

Compound name

[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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]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]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium

Related CIDs

• CID 16132008