S-odn-rev-sa

Structural Information

Molecular Formula

C₁₉₇H₂₄₈N₇₆O₁₀₄P₂₀S₁₉

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)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=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)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)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=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C197H248N76O104P20S19/c1-74-33-257(192(291)248-169(74)275)127-17-84(362-379(300,398)320-39-100-80(274)13-123(339-100)267-67-224-147-162(267)234-182(205)241-175(147)281)105(343-127)44-326-383(304,402)364-86-19-129(259-35-76(3)171(277)250-194(259)293)346-108(86)47-328-385(306,404)365-87-20-130(260-36-77(4)172(278)251-195(260)294)347-109(87)48-327-384(305,403)363-85-18-128(258-34-75(2)170(276)249-193(258)292)344-106(85)45-324-382(303,401)361-83-16-126(256-12-9-122(200)233-191(256)290)342-104(83)43-323-390(311,409)374-96-29-139(270-70-227-150-165(270)237-185(208)244-178(150)284)358-119(96)58-338-397(318,416)377-99-32-142(273-73-230-153-168(273)240-188(211)247-181(153)287)357-118(99)57-337-393(314,412)371-93-25-135(265-65-222-145-156(203)214-61-218-160(145)265)351-112(93)51-331-392(313,411)370-92-24-134(264-64-221-144-155(202)213-60-217-159(144)264)350-111(92)50-330-386(307,405)366-88-21-131(261-37-78(5)173(279)252-196(261)295)345-107(88)46-325-381(302,400)360-82-15-125(255-11-8-121(199)232-190(255)289)340-102(82)41-321-380(301,399)359-81-14-124(254-10-7-120(198)231-189(254)288)341-103(81)42-322-389(310,408)373-95-28-138(269-69-226-149-164(269)236-184(207)243-177(149)283)354-115(95)54-334-387(308,406)367-89-22-132(262-38-79(6)174(280)253-197(262)296)348-110(89)49-329-391(312,410)369-91-23-133(263-63-220-143-154(201)212-59-216-158(143)263)352-113(91)52-332-396(317,415)376-98-31-141(272-72-229-152-167(272)239-187(210)246-180(152)286)356-117(98)56-336-394(315,413)372-94-26-136(266-66-223-146-157(204)215-62-219-161(146)266)353-114(94)53-333-395(316,414)375-97-30-140(271-71-228-151-166(271)238-186(209)245-179(151)285)355-116(97)55-335-388(309,407)368-90-27-137(349-101(90)40-319-378(297,298)299)268-68-225-148-163(268)235-183(206)242-176(148)282/h7-12,33-38,59-73,80-119,123-142,274H,13-32,39-58H2,1-6H3,(H,300,398)(H,301,399)(H,302,400)(H,303,401)(H,304,402)(H,305,403)(H,306,404)(H,307,405)(H,308,406)(H,309,407)(H,310,408)(H,311,409)(H,312,410)(H,313,411)(H,314,412)(H,315,413)(H,316,414)(H,317,415)(H,318,416)(H2,198,231,288)(H2,199,232,289)(H2,200,233,290)(H2,201,212,216)(H2,202,213,217)(H2,203,214,218)(H2,204,215,219)(H,248,275,291)(H,249,276,292)(H,250,277,293)(H,251,278,294)(H,252,279,295)(H,253,280,296)(H2,297,298,299)(H3,205,234,241,281)(H3,206,235,242,282)(H3,207,236,243,283)(H3,208,237,244,284)(H3,209,238,245,285)(H3,210,239,246,286)(H3,211,240,247,287)

InChIKey

ZUPWKZSUJDUGQJ-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-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-(6-aminopurin-9-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]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate

Related CIDs

• CID 16204673