Sa-20

Structural Information

Molecular Formula

C₁₉₅H₂₄₆N₇₈O₉₇P₂₀S₂₀

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

InChI

InChI=1S/C195H246N78O97P20S20/c1-78-35-259(192(287)250-177(78)275)133-21-88(110(339-133)47-320-379(300,399)358-89-22-134(260-36-79(2)178(276)251-193(260)288)340-111(89)48-321-384(305,404)364-94-27-139(265-69-230-149-160(203)214-61-222-168(149)265)345-115(94)52-325-386(307,406)366-96-29-141(267-71-232-151-162(205)216-63-224-170(151)267)344-114(96)51-324-376(297,396)355-86-19-131(257-13-8-125(199)242-190(257)285)334-105(86)42-315-373(294,393)352-83-16-128(254-10-5-122(196)239-187(254)282)333-104(83)41-314-374(295,394)353-84-17-129(255-11-6-123(197)240-188(255)283)337-108(84)45-318-383(304,403)363-93-26-138(264-68-229-148-159(202)213-60-221-167(148)264)343-113(93)50-323-377(298,397)356-87-20-132(258-14-9-126(200)243-191(258)286)336-107(87)44-317-382(303,402)361-92-25-137(342-103(92)40-312-371(291,292)391)263-67-228-147-158(201)212-59-220-166(147)263)357-378(299,398)316-43-106-85(18-130(335-106)256-12-7-124(198)241-189(256)284)354-375(296,395)319-46-109-90(23-135(338-109)261-37-80(3)179(277)252-194(261)289)359-381(302,401)331-58-121-101(34-146(351-121)273-77-238-157-176(273)246-186(211)249-183(157)281)370-390(311,410)329-56-119-99(32-144(349-119)270-74-235-154-165(208)219-66-227-173(154)270)369-389(310,409)328-55-118-98(31-143(348-118)269-73-234-153-164(207)218-65-226-172(153)269)368-388(309,408)327-54-117-97(30-142(347-117)268-72-233-152-163(206)217-64-225-171(152)268)367-387(308,407)326-53-116-95(28-140(346-116)266-70-231-150-161(204)215-62-223-169(150)266)365-385(306,405)322-49-112-91(24-136(341-112)262-38-81(4)180(278)253-195(262)290)360-380(301,400)330-57-120-100(33-145(350-120)272-76-237-156-175(272)245-185(210)248-182(156)280)362-372(293,392)313-39-102-82(274)15-127(332-102)271-75-236-155-174(271)244-184(209)247-181(155)279/h5-14,35-38,59-77,82-121,127-146,274H,15-34,39-58H2,1-4H3,(H,293,392)(H,294,393)(H,295,394)(H,296,395)(H,297,396)(H,298,397)(H,299,398)(H,300,399)(H,301,400)(H,302,401)(H,303,402)(H,304,403)(H,305,404)(H,306,405)(H,307,406)(H,308,407)(H,309,408)(H,310,409)(H,311,410)(H2,196,239,282)(H2,197,240,283)(H2,198,241,284)(H2,199,242,285)(H2,200,243,286)(H2,201,212,220)(H2,202,213,221)(H2,203,214,222)(H2,204,215,223)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H,250,275,287)(H,251,276,288)(H,252,277,289)(H,253,278,290)(H2,291,292,391)(H3,209,244,247,279)(H3,210,245,248,280)(H3,211,246,249,281)

InChIKey

DSUWWOKSMCTCER-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197676