S-anti-gag

Structural Information

Molecular Formula

C₂₆₉H₃₄₄N₉₇O₁₄₀P₂₇S₂₇

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(=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(=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]1COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)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=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)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)O

InChI

InChI=1S/C269H344N97O140P27S27/c1-109-58-350(263(391)332-237(109)369)183-30-116(368)145(453-183)66-425-507(398,534)497-134-48-201(357-99-303-211-221(281)291-93-297-227(211)357)470-162(134)83-443-515(406,542)487-124-38-191(346-26-15-179(277)320-259(346)387)455-147(124)68-428-509(400,536)481-118-32-185(340-20-9-173(271)314-253(340)381)454-146(118)67-427-510(401,537)482-119-33-186(341-21-10-174(272)315-254(341)382)458-150(119)71-431-525(416,552)498-135-49-202(358-100-304-212-222(282)292-94-298-228(212)358)471-163(135)84-444-516(407,543)488-126-40-193(348-28-17-181(279)322-261(348)389)463-155(126)76-436-530(421,557)505-142-56-209(365-107-311-219-235(365)326-250(289)330-246(219)378)477-169(142)90-449-517(408,544)489-125-39-192(347-27-16-180(278)321-260(347)388)457-149(125)70-430-520(411,547)492-129-43-196(352-60-111(3)239(371)334-265(352)393)464-156(129)77-437-511(402,538)483-120-34-187(342-22-11-175(273)316-255(342)383)456-148(120)69-429-519(410,546)491-128-42-195(351-59-110(2)238(370)333-264(351)392)465-157(128)78-438-512(403,539)485-123-37-190(345-25-14-178(276)319-258(345)386)462-154(123)75-435-529(420,556)504-141-55-208(364-106-310-218-234(364)325-249(288)329-245(218)377)478-170(141)91-450-518(409,545)490-127-41-194(349-29-18-182(280)323-262(349)390)460-152(127)73-433-527(418,554)500-137-51-204(360-102-306-214-224(284)294-96-300-230(214)360)475-167(137)88-448-533(424,560)506-143-57-210(366-108-312-220-236(366)327-251(290)331-247(220)379)479-171(143)92-451-524(415,551)496-131-45-198(354-62-113(5)241(373)336-267(354)395)467-159(131)80-440-514(405,541)484-121-35-188(343-23-12-176(274)317-256(343)384)459-151(121)72-432-526(417,553)499-136-50-203(359-101-305-213-223(283)293-95-299-229(213)359)472-164(136)85-445-523(414,550)495-133-47-200(356-64-115(7)243(375)338-269(356)397)469-161(133)82-442-531(422,558)501-138-52-205(361-103-307-215-225(285)295-97-301-231(215)361)474-166(138)87-447-532(423,559)502-139-53-206(362-104-308-216-226(286)296-98-302-232(216)362)473-165(139)86-446-522(413,549)494-132-46-199(355-63-114(6)242(374)337-268(355)396)468-160(132)81-441-521(412,548)493-130-44-197(353-61-112(4)240(372)335-266(353)394)466-158(130)79-439-513(404,540)486-122-36-189(344-24-13-177(275)318-257(344)385)461-153(122)74-434-528(419,555)503-140-54-207(363-105-309-217-233(363)324-248(287)328-244(217)376)476-168(140)89-426-508(399,535)480-117-31-184(452-144(117)65-367)339-19-8-172(270)313-252(339)380/h8-29,58-64,93-108,116-171,183-210,367-368H,30-57,65-92H2,1-7H3,(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)(H,424,560)(H2,270,313,380)(H2,271,314,381)(H2,272,315,382)(H2,273,316,383)(H2,274,317,384)(H2,275,318,385)(H2,276,319,386)(H2,277,320,387)(H2,278,321,388)(H2,279,322,389)(H2,280,323,390)(H2,281,291,297)(H2,282,292,298)(H2,283,293,299)(H2,284,294,300)(H2,285,295,301)(H2,286,296,302)(H,332,369,391)(H,333,370,392)(H,334,371,393)(H,335,372,394)(H,336,373,395)(H,337,374,396)(H,338,375,397)(H3,287,324,328,376)(H3,288,325,329,377)(H3,289,326,330,378)(H3,290,327,331,379)/t116-,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+,169+,170+,171+,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+,210+,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?,533?/m0/s1

InChIKey

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

Related CIDs

• CID 16220146