Dbm-2194

Structural Information

Molecular Formula

C₂₉₄H₃₄₆N₉₀O₁₀₁P₂₀S₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3C(N(CC(C3OC)N4C=NC5=C(N=CN=C54)N)C(C6=CC=CC=C6)C7=CC=CC=C7)COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9C(N(CC(C9OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)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=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=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=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C294H346N90O101P20S20/c1-145-97-370(292(402)355-271(145)387)208-82-172(386)187(451-208)112-436-500(419,520)481-248-167(365(236(150-50-26-12-27-51-150)151-52-28-13-29-53-151)101-161(242(248)426-5)374-134-326-224-254(302)314-128-320-260(224)374)107-433-488(407,508)469-182-92-218(380-140-332-230-266(380)344-281(308)350-275(230)391)462-198(182)123-447-502(421,522)482-249-168(366(237(152-54-30-14-31-55-152)153-56-32-15-33-57-153)102-162(243(249)427-6)375-135-327-225-255(303)315-129-321-261(225)375)108-432-487(406,507)467-174-84-210(359-77-71-203(296)338-287(359)397)453-189(174)114-439-495(414,515)475-179-89-215(371-98-146(2)272(388)356-293(371)403)458-194(179)119-443-493(412,513)473-177-87-213(362-80-74-206(299)341-290(362)400)456-192(177)117-441-497(416,517)477-184-94-220(382-142-334-232-268(382)346-283(310)352-277(232)393)460-196(184)121-445-499(418,519)479-186-96-222(384-144-336-234-270(384)348-285(312)354-279(234)395)465-201(186)126-450-504(423,524)484-250-169(367(238(154-58-34-16-35-59-154)155-60-36-17-37-61-155)103-163(244(250)428-7)376-136-328-226-256(304)316-130-322-262(226)376)109-431-486(405,506)466-173-83-209(358-76-70-202(295)337-286(358)396)452-188(173)113-437-491(410,511)471-175-85-211(360-78-72-204(297)339-288(360)398)454-190(175)115-438-492(411,512)472-176-86-212(361-79-73-205(298)340-289(361)399)455-191(176)116-440-496(415,516)476-180-90-216(372-99-147(3)273(389)357-294(372)404)459-195(180)120-444-494(413,514)474-178-88-214(363-81-75-207(300)342-291(363)401)457-193(178)118-442-498(417,518)478-185-95-221(383-143-335-233-269(383)347-284(311)353-278(233)394)464-200(185)125-449-505(424,525)485-252-171(369(240(158-66-42-20-43-67-158)159-68-44-21-45-69-159)105-165(246(252)430-9)378-138-330-228-258(306)318-132-324-264(228)378)111-435-490(409,510)470-183-93-219(381-141-333-231-267(381)345-282(309)351-276(231)392)463-199(183)124-448-503(422,523)483-251-170(368(239(156-62-38-18-39-63-156)157-64-40-19-41-65-157)104-164(245(251)429-8)377-137-329-227-257(305)317-131-323-263(227)377)110-434-489(408,509)468-181-91-217(379-139-331-229-265(379)343-280(307)349-274(229)390)461-197(181)122-446-501(420,521)480-247-166(106-385)364(235(148-46-22-10-23-47-148)149-48-24-11-25-49-149)100-160(241(247)425-4)373-133-325-223-253(301)313-127-319-259(223)373/h10-81,97-99,127-144,160-201,208-222,235-252,385-386H,82-96,100-126H2,1-9H3,(H,405,506)(H,406,507)(H,407,508)(H,408,509)(H,409,510)(H,410,511)(H,411,512)(H,412,513)(H,413,514)(H,414,515)(H,415,516)(H,416,517)(H,417,518)(H,418,519)(H,419,520)(H,420,521)(H,421,522)(H,422,523)(H,423,524)(H,424,525)(H2,295,337,396)(H2,296,338,397)(H2,297,339,398)(H2,298,340,399)(H2,299,341,400)(H2,300,342,401)(H2,301,313,319)(H2,302,314,320)(H2,303,315,321)(H2,304,316,322)(H2,305,317,323)(H2,306,318,324)(H,355,387,402)(H,356,388,403)(H,357,389,404)(H3,307,343,349,390)(H3,308,344,350,391)(H3,309,345,351,392)(H3,310,346,352,393)(H3,311,347,353,394)(H3,312,348,354,395)

InChIKey

BUGOXANEDTUVHN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207221