S-.alpha.rev

Structural Information

Molecular Formula

C₂₆₈H₃₄₇N₈₆O₁₄₈P₂₇S₂₇

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=NC4=O)N)OP(=S)(O)OC[C@@H]5[C@H](C[C@@H](O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(OC[C@@H]8[C@H](C[C@@H](O8)N9C=C(C(=O)NC9=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)O)S

InChI

InChI=1S/C268H347N86O148P27S27/c1-108-63-339(259(384)317-227(108)357)199-36-119(146(73-355)448-199)476-504(395,531)422-75-148-121(38-188(450-148)328-24-12-175(270)296-248(328)373)486-513(404,540)443-98-171-144(61-212(473-171)353-106-293-218-225(353)310-245(285)315-240(218)370)501-528(419,555)441-94-167-136(53-204(469-167)344-68-113(6)232(362)322-264(344)389)493-520(411,547)430-83-156-131(48-198(458-156)338-34-22-185(280)306-258(338)383)488-515(406,542)445-97-170-142(59-210(472-170)351-104-291-216-223(351)308-243(283)313-238(216)368)499-526(417,553)433-86-159-129(46-196(461-159)336-32-20-183(278)304-256(336)381)485-512(403,539)438-91-164-140(57-208(466-164)348-72-117(10)236(366)326-268(348)393)497-524(415,551)447-100-173-145(62-213(475-173)354-107-294-219-226(354)311-246(286)316-241(219)371)502-529(420,556)442-95-168-135(52-203(470-168)343-67-112(5)231(361)321-263(343)388)492-519(410,546)429-82-155-126(43-193(457-155)333-29-17-180(275)301-253(333)378)482-509(400,536)434-87-160-132(49-200(462-160)340-64-109(2)228(358)318-260(340)385)489-516(407,543)426-79-152-123(40-190(454-152)330-26-14-177(272)298-250(330)375)479-507(398,534)425-78-151-130(47-197(453-151)337-33-21-184(279)305-257(337)382)487-514(405,541)444-96-169-141(58-209(471-169)350-103-290-215-222(350)307-242(282)312-237(215)367)498-525(416,552)432-85-158-128(45-195(460-158)335-31-19-182(277)303-255(335)380)484-511(402,538)436-89-162-138(55-206(464-162)346-70-115(8)234(364)324-266(346)391)495-522(413,549)440-93-166-134(51-202(468-166)342-66-111(4)230(360)320-262(342)387)491-518(409,545)428-81-154-127(44-194(456-154)334-30-18-181(276)302-254(334)379)483-510(401,537)435-88-161-137(54-205(463-161)345-69-114(7)233(363)323-265(345)390)494-521(412,548)439-92-165-133(50-201(467-165)341-65-110(3)229(359)319-261(341)386)490-517(408,544)427-80-153-122(39-189(455-153)329-25-13-176(271)297-249(329)374)478-506(397,533)424-77-150-125(42-192(452-150)332-28-16-179(274)300-252(332)377)481-508(399,535)437-90-163-139(56-207(465-163)347-71-116(9)235(365)325-267(347)392)496-523(414,550)446-99-172-143(60-211(474-172)352-105-292-217-224(352)309-244(284)314-239(217)369)500-527(418,554)431-84-157-124(41-191(459-157)331-27-15-178(273)299-251(331)376)480-505(396,532)423-76-149-120(37-187(451-149)327-23-11-174(269)295-247(327)372)477-503(394,530)421-74-147-118(356)35-186(449-147)349-102-289-214-220(281)287-101-288-221(214)349/h11-34,63-72,101-107,118-173,186-213,355-356H,35-62,73-100H2,1-10H3,(H,394,530)(H,395,531)(H,396,532)(H,397,533)(H,398,534)(H,399,535)(H,400,536)(H,401,537)(H,402,538)(H,403,539)(H,404,540)(H,405,541)(H,406,542)(H,407,543)(H,408,544)(H,409,545)(H,410,546)(H,411,547)(H,412,548)(H,413,549)(H,414,550)(H,415,551)(H,416,552)(H,417,553)(H,418,554)(H,419,555)(H,420,556)(H2,269,295,372)(H2,270,296,373)(H2,271,297,374)(H2,272,298,375)(H2,273,299,376)(H2,274,300,377)(H2,275,301,378)(H2,276,302,379)(H2,277,303,380)(H2,278,304,381)(H2,279,305,382)(H2,280,306,383)(H2,281,287,288)(H,317,357,384)(H,318,358,385)(H,319,359,386)(H,320,360,387)(H,321,361,388)(H,322,362,389)(H,323,363,390)(H,324,364,391)(H,325,365,392)(H,326,366,393)(H3,282,307,312,367)(H3,283,308,313,368)(H3,284,309,314,369)(H3,285,310,315,370)(H3,286,311,316,371)/t118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,503?,504?,505?,506?,507?,508?,509?,510?,511?,512?,513?,514?,515?,516?,517?,518?,519?,520?,521?,522?,523?,524?,525?,526?,527?,528?,529?/m0/s1

InChIKey

YTVUCWIXZRUWSI-DDAUKSGOSA-N

Compound name

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

Related CIDs

• CID 16197255