S-anti-tat(spl)

Structural Information

Molecular Formula

C₂₆₇H₃₄₂N₉₉O₁₃₉P₂₇S₂₇

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)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)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C267H342N99O139P27S27/c1-108-60-352(263(392)334-235(108)369)182-32-113(368)142(452-182)66-424-506(397,533)480-115-34-183(339-19-6-169(268)311-250(339)379)453-143(115)67-426-508(399,535)481-116-35-184(340-20-7-170(269)312-251(340)380)454-144(116)68-427-509(400,536)482-117-36-185(341-21-8-171(270)313-252(341)381)456-146(117)70-429-512(403,539)485-120-39-188(344-24-11-174(273)316-255(344)384)464-154(120)78-437-526(417,553)502-137-56-206(363-104-307-216-231(363)325-246(287)330-241(216)375)475-165(137)89-447-517(408,544)490-123-42-191(347-27-14-177(276)319-258(347)387)458-148(123)72-431-513(404,540)486-121-40-189(345-25-12-175(274)317-256(345)385)465-155(121)79-438-527(418,554)503-138-57-207(364-105-308-217-232(364)326-247(288)331-242(217)376)476-166(138)90-448-518(409,545)491-126-45-194(350-30-17-180(279)322-261(350)390)461-151(126)75-434-522(413,549)495-130-49-198(355-63-111(4)238(372)337-266(355)395)469-159(130)83-441-529(420,556)504-139-58-208(365-106-309-218-233(365)327-248(289)332-243(218)377)478-168(139)92-450-531(422,558)501-136-55-204(361-102-305-214-224(285)295-97-300-229(214)361)472-162(136)86-444-515(406,542)488-124-43-192(348-28-15-178(277)320-259(348)388)459-149(124)73-433-521(412,548)494-129-48-197(354-62-110(3)237(371)336-265(354)394)467-157(129)81-439-523(414,550)496-131-50-199(356-64-112(5)239(373)338-267(356)396)468-158(131)82-440-528(419,555)499-134-53-202(359-100-303-212-222(283)293-95-298-227(212)359)473-163(134)87-445-530(421,557)500-135-54-203(360-101-304-213-223(284)294-96-299-228(213)360)471-161(135)85-443-514(405,541)487-122-41-190(346-26-13-176(275)318-257(346)386)457-147(122)71-430-510(401,537)483-118-37-186(342-22-9-172(271)314-253(342)382)455-145(118)69-428-511(402,538)484-119-38-187(343-23-10-173(272)315-254(343)383)462-152(119)76-435-524(415,551)497-132-51-200(357-98-301-210-220(281)291-93-296-225(210)357)470-160(132)84-442-516(407,543)489-127-46-195(351-31-18-181(280)323-262(351)391)463-153(127)77-436-525(416,552)498-133-52-201(358-99-302-211-221(282)292-94-297-226(211)358)474-164(133)88-446-532(423,559)505-140-59-209(366-107-310-219-234(366)328-249(290)333-244(219)378)477-167(140)91-449-519(410,546)492-125-44-193(349-29-16-179(278)321-260(349)389)460-150(125)74-432-520(411,547)493-128-47-196(353-61-109(2)236(370)335-264(353)393)466-156(128)80-425-507(398,534)479-114-33-205(451-141(114)65-367)362-103-306-215-230(362)324-245(286)329-240(215)374/h6-31,60-64,93-107,113-168,182-209,367-368H,32-59,65-92H2,1-5H3,(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)(H,421,557)(H,422,558)(H,423,559)(H2,268,311,379)(H2,269,312,380)(H2,270,313,381)(H2,271,314,382)(H2,272,315,383)(H2,273,316,384)(H2,274,317,385)(H2,275,318,386)(H2,276,319,387)(H2,277,320,388)(H2,278,321,389)(H2,279,322,390)(H2,280,323,391)(H2,281,291,296)(H2,282,292,297)(H2,283,293,298)(H2,284,294,299)(H2,285,295,300)(H,334,369,392)(H,335,370,393)(H,336,371,394)(H,337,372,395)(H,338,373,396)(H3,286,324,329,374)(H3,287,325,330,375)(H3,288,326,331,376)(H3,289,327,332,377)(H3,290,328,333,378)/t113-,114-,115-,116-,117-,118-,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+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,506?,507?,508?,509?,510?,511?,512?,513?,514?,515?,516?,517?,518?,519?,520?,521?,522?,523?,524?,525?,526?,527?,528?,529?,530?,531?,532?/m0/s1

InChIKey

OUOOZNMJHVCEIM-PWVHRGOSSA-N

Compound name

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

Related CIDs

• CID 16220149