Pb2-loop-ran

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(OC5COP(=O)(O)OC6CC(OC6CO[P+](=O)O)N7C=NC8=C(N=CN=C87)N)N9C=C(C(=O)NC9=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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=CC(=NC1=O)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=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)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=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

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

NTZXOUOZRHNIIP-UHFFFAOYSA-O

Compound name

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

Related CIDs

• CID 16132009