Isis 10488

Structural Information

Molecular Formula

C₁₉₅H₂₄₇N₇₂O₁₀₃P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=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(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C195H247N72O103P19S19/c1-74-37-253(190(288)242-165(74)270)125-17-80(269)101(333-125)44-313-371(294,390)362-93-30-138(261-67-216-147-158(261)228-178(203)235-171(147)276)345-113(93)56-330-388(311,407)369-98-35-143(266-72-221-152-163(266)233-183(208)240-176(152)281)347-115(98)58-326-377(300,396)357-86-23-130(252-16-11-124(200)227-189(252)287)336-104(86)47-316-382(305,401)363-91-28-136(259-65-214-145-154(201)210-63-212-156(145)259)343-111(91)54-323-375(298,394)356-85-22-129(251-15-10-123(199)226-188(251)286)338-106(85)49-318-384(307,403)366-95-32-140(263-69-218-149-160(263)230-180(205)237-173(149)278)349-117(95)60-328-380(303,399)361-90-27-135(258-42-79(6)170(275)247-195(258)293)342-110(90)53-322-387(310,406)368-97-34-142(265-71-220-151-162(265)232-182(207)239-175(151)280)351-119(97)62-331-389(312,408)370-99-36-144(267-73-222-153-164(267)234-184(209)241-177(153)282)350-118(99)61-329-381(304,400)359-88-25-133(256-40-77(4)168(273)245-193(256)291)340-108(88)51-320-385(308,404)364-92-29-137(260-66-215-146-155(202)211-64-213-157(146)260)344-112(92)55-324-374(297,393)355-84-21-128(250-14-9-122(198)225-187(250)285)335-103(84)46-315-378(301,397)358-87-24-132(255-39-76(3)167(272)244-192(255)290)339-107(87)50-319-373(296,392)353-83-20-127(249-13-8-121(197)224-186(249)284)337-105(83)48-317-383(306,402)365-94-31-139(262-68-217-148-159(262)229-179(204)236-172(148)277)348-116(94)59-327-379(302,398)360-89-26-134(257-41-78(5)169(274)246-194(257)292)341-109(89)52-321-386(309,405)367-96-33-141(264-70-219-150-161(264)231-181(206)238-174(150)279)346-114(96)57-325-376(299,395)354-82-19-126(248-12-7-120(196)223-185(248)283)334-102(82)45-314-372(295,391)352-81-18-131(332-100(81)43-268)254-38-75(2)166(271)243-191(254)289/h7-16,37-42,63-73,80-119,125-144,268-269H,17-36,43-62H2,1-6H3,(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H2,196,223,283)(H2,197,224,284)(H2,198,225,285)(H2,199,226,286)(H2,200,227,287)(H2,201,210,212)(H2,202,211,213)(H,242,270,288)(H,243,271,289)(H,244,272,290)(H,245,273,291)(H,246,274,292)(H,247,275,293)(H3,203,228,235,276)(H3,204,229,236,277)(H3,205,230,237,278)(H3,206,231,238,279)(H3,207,232,239,280)(H3,208,233,240,281)(H3,209,234,241,282)

InChIKey

ARWZOHZOWKSLPL-UHFFFAOYSA-N

Compound name

1-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-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]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16131623