S-n-me-anti-rev28

Structural Information

Molecular Formula

C₂₇₂H₃₅₅N₈₆O₁₄₈P₂₇S₂₇

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(=S)(O)OC[C@@H]8[C@H](C[C@@H](O8)N9C=C(C(=O)N(C9=O)C)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)N(C1=O)C)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)N(C1=O)C)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)N(C1=O)C)C)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=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/C272H355N86O148P27S27/c1-112-67-343(263(388)321-231(112)361)203-40-123(150(77-359)452-203)480-508(399,535)426-79-152-125(42-192(454-152)332-28-16-179(274)300-252(332)377)490-517(408,544)447-102-175-149(66-217(477-175)358-111-298-223-230(358)315-250(290)320-241(223)371)506-533(424,560)446-99-172-142(59-210(474-172)350-74-119(8)243(373)328(12)270(350)395)499-526(417,553)434-87-160-135(52-202(462-160)342-38-26-189(284)310-262(342)387)492-519(410,546)449-101-174-145(62-213(476-174)354-107-294-219-226(354)311-246(286)316-237(219)367)502-529(420,556)436-89-162-130(47-197(464-162)337-33-21-184(279)305-257(337)382)486-513(404,540)439-92-165-140(57-208(467-165)348-72-117(6)236(366)326-268(348)393)497-524(415,551)450-103-176-148(65-216(478-176)357-110-297-222-229(357)314-249(289)319-240(222)370)505-532(423,559)442-95-168-138(55-206(470-168)346-70-115(4)234(364)324-266(346)391)495-522(413,549)432-85-158-132(49-199(460-158)339-35-23-186(281)307-259(339)384)488-515(406,542)443-96-169-141(58-209(471-169)349-73-118(7)242(372)327(11)269(349)394)498-525(416,552)433-86-159-127(44-194(461-159)334-30-18-181(276)302-254(334)379)483-511(402,538)429-82-155-134(51-201(457-155)341-37-25-188(283)309-261(341)386)491-518(409,545)448-100-173-146(63-214(475-173)355-108-295-220-227(355)312-247(287)317-238(220)368)503-530(421,557)437-90-163-133(50-200(465-163)340-36-24-187(282)308-260(340)385)489-516(407,543)444-97-170-143(60-211(472-170)351-75-120(9)244(374)329(13)271(351)396)500-527(418,554)441-94-167-137(54-205(469-167)345-69-114(3)233(363)323-265(345)390)494-521(412,548)431-84-157-129(46-196(459-157)336-32-20-183(278)304-256(336)381)485-512(403,539)438-91-164-139(56-207(466-164)347-71-116(5)235(365)325-267(347)392)496-523(414,550)440-93-166-136(53-204(468-166)344-68-113(2)232(362)322-264(344)389)493-520(411,547)430-83-156-126(43-193(458-156)333-29-17-180(275)301-253(333)378)482-510(401,537)428-81-154-131(48-198(456-154)338-34-22-185(280)306-258(338)383)487-514(405,541)445-98-171-144(61-212(473-171)352-76-121(10)245(375)330(14)272(352)397)501-528(419,555)451-104-177-147(64-215(479-177)356-109-296-221-228(356)313-248(288)318-239(221)369)504-531(422,558)435-88-161-128(45-195(463-161)335-31-19-182(277)303-255(335)380)484-509(400,536)427-80-153-124(41-191(455-153)331-27-15-178(273)299-251(331)376)481-507(398,534)425-78-151-122(360)39-190(453-151)353-106-293-218-224(285)291-105-292-225(218)353/h15-38,67-76,105-111,122-177,190-217,359-360H,39-66,77-104H2,1-14H3,(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)(H2,273,299,376)(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)(H2,281,307,384)(H2,282,308,385)(H2,283,309,386)(H2,284,310,387)(H2,285,291,292)(H,321,361,388)(H,322,362,389)(H,323,363,390)(H,324,364,391)(H,325,365,392)(H,326,366,393)(H3,286,311,316,367)(H3,287,312,317,368)(H3,288,313,318,369)(H3,289,314,319,370)(H3,290,315,320,371)/t122-,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+,174+,175+,176+,177+,190+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,214+,215+,216+,217+,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

QRPBHJOLZYTLBR-XHEMHYTLSA-N

Compound name

1-[(2R,4S,5R)-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)-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)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(3,5-dimethyl-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-(5-methyl-2,4-dioxopyrimidin-1-yl)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]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(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-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(3,5-dimethyl-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-(3,5-dimethyl-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]oxyoxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione

Related CIDs

• CID 16220145