S-anti-g/p-2

Structural Information

Molecular Formula

C₂₇₁H₃₄₃N₁₀₄O₁₄₀P₂₇S₂₇

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]9CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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=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=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=NC2=C(N=CN=C21)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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=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)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=NC2=C(N=CN=C21)N)O)S

InChI

InChI=1S/C271H343N104O140P27S27/c1-105-53-357(266(401)342-235(105)378)186-35-121(152(474-186)72-446-527(418,554)499-122-36-187(358-54-106(2)236(379)343-267(358)402)471-149(122)69-444-524(415,551)496-119-33-184(355-23-14-174(279)324-264(355)399)466-144(119)64-438-520(411,547)492-116-30-181(352-20-11-171(276)321-261(352)396)469-147(116)67-441-532(423,559)509-132-46-197(369-98-310-210-228(369)327-250(287)335-242(210)385)486-164(132)84-458-540(431,567)513-135-49-200(372-101-313-213-231(372)330-253(290)338-245(213)388)483-161(135)81-454-530(421,557)502-124-38-189(360-56-108(4)238(381)345-269(360)404)473-151(124)71-443-522(413,549)494-113-27-178(349-17-8-168(273)318-258(349)393)463-141(113)61-435-517(408,544)489-112-26-177(461-139(112)59-376)348-16-7-167(272)317-257(348)392)498-526(417,553)440-66-146-115(29-180(468-146)351-19-10-170(275)320-260(351)395)491-519(410,546)436-62-142-114(28-179(464-142)350-18-9-169(274)319-259(350)394)490-518(409,545)437-63-143-118(32-183(465-143)354-22-13-173(278)323-263(354)398)495-523(414,550)445-70-150-123(37-188(472-150)359-55-107(3)237(380)344-268(359)403)500-528(419,555)447-73-153-125(39-190(475-153)361-57-109(5)239(382)346-270(361)405)503-531(422,558)453-80-160-134(48-199(482-160)371-100-312-212-230(371)329-252(289)337-244(212)387)511-534(425,561)448-74-154-126(40-191(476-154)362-58-110(6)240(383)347-271(362)406)501-529(420,556)450-76-156-128(42-193(478-156)365-94-306-206-219(283)296-89-301-224(206)365)507-537(428,564)456-82-162-138(52-203(484-162)375-104-316-216-234(375)333-256(293)341-248(216)391)515-542(433,569)460-86-166-136(50-201(488-166)373-102-314-214-232(373)331-254(291)339-246(214)389)512-539(430,566)452-78-158-129(43-194(480-158)366-95-307-207-220(284)297-90-302-225(207)366)505-535(426,562)451-77-157-130(44-195(479-157)367-96-308-208-221(285)298-91-303-226(208)367)508-538(429,565)457-83-163-137(51-202(485-163)374-103-315-215-233(374)332-255(292)340-247(215)390)514-541(432,568)459-85-165-133(47-198(487-165)370-99-311-211-229(370)328-251(288)336-243(211)386)510-533(424,560)442-68-148-117(31-182(470-148)353-21-12-172(277)322-262(353)397)493-521(412,548)439-65-145-120(34-185(467-145)356-24-15-175(280)325-265(356)400)497-525(416,552)449-75-155-127(41-192(477-155)364-93-305-205-218(282)295-88-300-223(205)364)506-536(427,563)455-79-159-131(45-196(481-159)368-97-309-209-227(368)326-249(286)334-241(209)384)504-516(407,543)434-60-140-111(377)25-176(462-140)363-92-304-204-217(281)294-87-299-222(204)363/h7-24,53-58,87-104,111-166,176-203,376-377H,25-52,59-86H2,1-6H3,(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)(H,425,561)(H,426,562)(H,427,563)(H,428,564)(H,429,565)(H,430,566)(H,431,567)(H,432,568)(H,433,569)(H2,272,317,392)(H2,273,318,393)(H2,274,319,394)(H2,275,320,395)(H2,276,321,396)(H2,277,322,397)(H2,278,323,398)(H2,279,324,399)(H2,280,325,400)(H2,281,294,299)(H2,282,295,300)(H2,283,296,301)(H2,284,297,302)(H2,285,298,303)(H,342,378,401)(H,343,379,402)(H,344,380,403)(H,345,381,404)(H,346,382,405)(H,347,383,406)(H3,286,326,334,384)(H3,287,327,335,385)(H3,288,328,336,386)(H3,289,329,337,387)(H3,290,330,338,388)(H3,291,331,339,389)(H3,292,332,340,390)(H3,293,333,341,391)/t111-,112-,113-,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+,176+,177+,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,516?,517?,518?,519?,520?,521?,522?,523?,524?,525?,526?,527?,528?,529?,530?,531?,532?,533?,534?,535?,536?,537?,538?,539?,540?,541?,542?/m0/s1

InChIKey

BOTDERRPSCNBBI-LJRWXXDDSA-N

Compound name

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

Related CIDs

• CID 16220151