Dbm-2195

Structural Information

Molecular Formula

C₂₅₉H₃₀₇N₇₉O₉₂P₁₈S₁₈

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)CO)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/C259H307N79O92P18S18/c1-127-85-326(257(355)312-238(127)341)184-71-150(340)164(399-184)98-385-444(371,462)427-219-146(322(209(132-43-23-11-24-44-132)133-45-25-12-26-46-133)89-141(214(219)377-5)330-118-287-199-224(267)277-113-282-229(199)330)94-383-433(360,451)416-160-81-194(335-123-292-204-234(335)303-247(272)308-242(204)345)410-175(160)109-396-446(373,464)428-220-147(323(210(134-47-27-13-28-48-134)135-49-29-14-30-50-135)90-142(215(220)378-6)331-119-288-200-225(268)278-114-283-230(200)331)95-382-432(359,450)414-152-73-186(316-66-60-179(261)297-252(316)350)401-166(152)100-388-439(366,457)421-157-78-191(327-86-128(2)239(342)313-258(327)356)406-171(157)105-392-437(364,455)419-155-76-189(319-69-63-182(264)300-255(319)353)404-169(155)103-390-441(368,459)423-161-82-195(336-124-293-205-235(336)304-248(273)309-243(205)346)408-173(161)107-394-443(370,461)425-163-84-197(338-126-295-207-237(338)306-250(275)311-245(207)348)412-177(163)111-398-447(374,465)429-221-148(324(211(136-51-31-15-32-52-136)137-53-33-16-34-54-137)91-143(216(221)379-7)332-120-289-201-226(269)279-115-284-231(201)332)96-381-431(358,449)413-151-72-185(315-65-59-178(260)296-251(315)349)400-165(151)99-386-435(362,453)417-153-74-187(317-67-61-180(262)298-253(317)351)402-167(153)101-387-436(363,454)418-154-75-188(318-68-62-181(263)299-254(318)352)403-168(154)102-389-440(367,458)422-158-79-192(328-87-129(3)240(343)314-259(328)357)407-172(158)106-393-438(365,456)420-156-77-190(320-70-64-183(265)301-256(320)354)405-170(156)104-391-442(369,460)424-162-83-196(337-125-294-206-236(337)305-249(274)310-244(206)347)411-176(162)110-397-448(375,466)430-222-149(325(212(138-55-35-17-36-56-138)139-57-37-18-38-58-139)92-144(217(222)380-8)333-121-290-202-227(270)280-116-285-232(202)333)97-384-434(361,452)415-159-80-193(334-122-291-203-233(334)302-246(271)307-241(203)344)409-174(159)108-395-445(372,463)426-218-145(93-339)321(208(130-39-19-9-20-40-130)131-41-21-10-22-42-131)88-140(213(218)376-4)329-117-286-198-223(266)276-112-281-228(198)329/h9-70,85-87,112-126,140-177,184-197,208-222,339-340H,71-84,88-111H2,1-8H3,(H,358,449)(H,359,450)(H,360,451)(H,361,452)(H,362,453)(H,363,454)(H,364,455)(H,365,456)(H,366,457)(H,367,458)(H,368,459)(H,369,460)(H,370,461)(H,371,462)(H,372,463)(H,373,464)(H,374,465)(H,375,466)(H2,260,296,349)(H2,261,297,350)(H2,262,298,351)(H2,263,299,352)(H2,264,300,353)(H2,265,301,354)(H2,266,276,281)(H2,267,277,282)(H2,268,278,283)(H2,269,279,284)(H2,270,280,285)(H,312,341,355)(H,313,342,356)(H,314,343,357)(H3,271,302,307,344)(H3,272,303,308,345)(H3,273,304,309,346)(H3,274,305,310,347)(H3,275,306,311,348)

InChIKey

LXIMRRJKGDNXTN-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-[[[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-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 16207222