Dbm-2137

Structural Information

Molecular Formula

C₂₁₈H₂₆₅N₇₀O₁₀₅P₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5C(N(CC(C5OC)N6C=NC7=C(N=CN=C76)N)C(C8=CC=CC=C8)C9=CC=CC=C9)CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C218H265N70O105P17/c1-102-66-278(216(305)265-198(102)291)161-58-124(139(369-161)83-355-400(320,321)382-122-56-159(273-49-42-152(224)255-214(273)303)368-138(122)81-353-405(330,331)389-130-64-167(287-100-248-175-196(287)259-207(232)263-203(175)296)375-145(130)88-359-408(336,337)391-183-114(72-289)275(177(105-25-13-7-14-26-105)106-27-15-8-16-28-106)69-111(180(183)342-4)281-94-242-169-186(226)234-90-238-190(169)281)385-402(324,325)350-78-135-120(54-157(365-135)271-47-40-150(222)253-212(271)301)380-398(316,317)349-77-134-119(53-156(364-134)270-46-39-149(221)252-211(270)300)379-397(314,315)348-76-133-118(52-155(363-133)269-45-38-148(220)251-210(269)299)377-394(308,309)345-73-115-185(182(344-6)113(283-96-244-171-188(228)236-92-240-192(171)283)70-276(115)178(107-29-17-9-18-30-107)108-31-19-10-20-32-108)393-410(340,341)361-89-146-131(65-168(376-146)288-101-249-176-197(288)260-208(233)264-204(176)297)390-407(334,335)358-86-144-129(63-166(374-144)286-99-247-174-195(286)258-206(231)262-202(174)295)388-404(328,329)352-80-137-121(55-158(367-137)272-48-41-151(223)254-213(272)302)381-399(318,319)354-82-140-125(59-162(370-140)279-67-103(2)199(292)266-217(279)306)386-403(326,327)351-79-136-123(57-160(366-136)274-50-43-153(225)256-215(274)304)383-401(322,323)356-84-142-127(61-164(372-142)284-97-245-172-189(229)237-93-241-193(172)284)387-406(332,333)357-85-143-128(62-165(373-143)285-98-246-173-194(285)257-205(230)261-201(173)294)378-395(310,311)346-74-116-184(181(343-5)112(282-95-243-170-187(227)235-91-239-191(170)282)71-277(116)179(109-33-21-11-22-34-109)110-35-23-12-24-36-110)392-409(338,339)360-87-141-126(60-163(371-141)280-68-104(3)200(293)267-218(280)307)384-396(312,313)347-75-132-117(290)51-154(362-132)268-44-37-147(219)250-209(268)298/h7-50,66-68,90-101,111-146,154-168,177-185,289-290H,51-65,69-89H2,1-6H3,(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H2,219,250,298)(H2,220,251,299)(H2,221,252,300)(H2,222,253,301)(H2,223,254,302)(H2,224,255,303)(H2,225,256,304)(H2,226,234,238)(H2,227,235,239)(H2,228,236,240)(H2,229,237,241)(H,265,291,305)(H,266,292,306)(H,267,293,307)(H3,230,257,261,294)(H3,231,258,262,295)(H3,232,259,263,296)(H3,233,260,264,297)

InChIKey

MAPLSFNSPPMCPG-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-1-benzhydryl-2-(hydroxymethyl)-4-methoxypiperidin-3-yl] hydrogen phosphate

Related CIDs

• CID 16134232