I100-12

Structural Information

Molecular Formula

C₂₆₀H₃₂₂N₁₀₃O₁₃₈P₂₅S₂₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=O)N)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)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(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)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(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)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(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C260H322N103O138P25S25/c1-88-36-338(252(392)329-209(88)366)150-12-99(125(453-150)47-427-503(402,528)477-98-11-159(451-123(98)45-364)348-72-279-176-193(348)296-236(262)313-219(176)376)478-504(403,529)428-48-126-102(15-153(454-126)341-39-91(4)212(369)332-255(341)395)482-509(408,534)438-59-137-116(29-168(465-137)357-81-288-185-202(357)305-245(271)322-228(185)385)495-520(419,545)446-66-144-121(34-173(472-144)362-86-293-190-207(362)310-250(276)327-233(190)390)500-525(424,550)450-70-148-122(35-174(476-148)363-87-294-191-208(363)311-251(277)328-234(191)391)501-526(425,551)449-69-147-118(31-170(475-147)359-83-290-187-204(359)307-247(273)324-230(187)387)497-522(421,547)444-64-142-110(23-162(470-142)351-75-282-179-196(351)299-239(265)316-222(179)379)489-514(413,539)432-52-130-101(14-152(458-130)340-38-90(3)211(368)331-254(340)394)480-506(405,531)429-49-127-103(16-154(455-127)342-40-92(5)213(370)333-256(342)396)481-508(407,533)437-57-135-109(22-161(463-135)350-74-281-178-195(350)298-238(264)315-221(178)378)488-513(412,538)431-51-129-100(13-151(457-129)339-37-89(2)210(367)330-253(339)393)479-505(404,530)430-50-128-104(17-155(456-128)343-41-93(6)214(371)334-257(343)397)483-510(409,535)439-58-136-114(27-166(464-136)355-79-286-183-200(355)303-243(269)320-226(183)383)493-518(417,543)442-63-141-112(25-164(469-141)353-77-284-181-198(353)301-241(267)318-224(181)381)491-516(415,541)434-54-132-107(20-158(460-132)346-44-96(9)217(374)337-260(346)400)486-512(411,537)441-61-139-117(30-169(467-139)358-82-289-186-203(358)306-246(272)323-229(186)386)496-521(420,546)447-67-145-120(33-172(473-145)361-85-292-189-206(361)309-249(275)326-232(189)389)499-524(423,549)448-68-146-119(32-171(474-146)360-84-291-188-205(360)308-248(274)325-231(188)388)498-523(422,548)445-65-143-113(26-165(471-143)354-78-285-182-199(354)302-242(268)319-225(182)382)492-517(416,542)435-55-133-106(19-157(461-133)345-43-95(8)216(373)336-259(345)399)485-511(410,536)440-60-138-115(28-167(466-138)356-80-287-184-201(356)304-244(270)321-227(184)384)494-519(418,544)443-62-140-111(24-163(468-140)352-76-283-180-197(352)300-240(266)317-223(180)380)490-515(414,540)433-53-131-105(18-156(459-131)344-42-94(7)215(372)335-258(344)398)484-507(406,532)436-56-134-108(21-160(462-134)349-73-280-177-194(349)297-237(263)314-220(177)377)487-502(401,527)426-46-124-97(365)10-149(452-124)347-71-278-175-192(347)295-235(261)312-218(175)375/h36-44,71-87,97-174,364-365H,10-35,45-70H2,1-9H3,(H,401,527)(H,402,528)(H,403,529)(H,404,530)(H,405,531)(H,406,532)(H,407,533)(H,408,534)(H,409,535)(H,410,536)(H,411,537)(H,412,538)(H,413,539)(H,414,540)(H,415,541)(H,416,542)(H,417,543)(H,418,544)(H,419,545)(H,420,546)(H,421,547)(H,422,548)(H,423,549)(H,424,550)(H,425,551)(H,329,366,392)(H,330,367,393)(H,331,368,394)(H,332,369,395)(H,333,370,396)(H,334,371,397)(H,335,372,398)(H,336,373,399)(H,337,374,400)(H3,261,295,312,375)(H3,262,296,313,376)(H3,263,297,314,377)(H3,264,298,315,378)(H3,265,299,316,379)(H3,266,300,317,380)(H3,267,301,318,381)(H3,268,302,319,382)(H3,269,303,320,383)(H3,270,304,321,384)(H3,271,305,322,385)(H3,272,306,323,386)(H3,273,307,324,387)(H3,274,308,325,388)(H3,275,309,326,389)(H3,276,310,327,390)(H3,277,311,328,391)

InChIKey

PBKBZTHUFIIKNW-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16186150