Dbm-2198

Structural Information

Molecular Formula

C₂₄₆H₂₉₆N₆₅O₈₈P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4C(N(CC(C4OC)N5C=NC6=C(N=CN=C65)N)C(C7=CC=CC=C7)C8=CC=CC=C8)CO)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C246H296N65O88P17S17/c1-128-91-303(243(327)285-230(128)314)196-87-161(174(379-196)110-362-404(335,421)387-157-83-192(294-74-65-183(252)281-239(294)323)375-170(157)114-366-413(344,430)395-215-147(100-312)298(205(132-40-20-10-21-41-132)133-42-22-11-23-43-133)95-142(210(215)348-5)307-123-271-200-220(256)261-118-266-225(200)307)391-409(340,426)359-107-167-154(80-189(372-167)291-71-62-180(249)278-236(291)320)384-401(332,418)354-102-149-217(212(350-7)144(309-125-273-202-222(258)263-120-268-227(202)309)97-300(149)207(136-48-28-14-29-49-136)137-50-30-15-31-51-137)397-415(346,432)368-116-172-159(85-194(377-172)296-76-67-185(254)283-241(296)325)389-406(337,423)364-112-176-163(89-198(381-176)305-93-130(3)232(316)287-245(305)329)393-411(342,428)361-109-169-156(82-191(374-169)293-73-64-182(251)280-238(293)322)386-403(334,420)356-104-151-219(214(352-9)146(311-127-275-204-224(260)265-122-270-229(204)311)99-302(151)209(140-56-36-18-37-57-140)141-58-38-19-39-59-141)399-416(347,433)369-117-173-160(86-195(378-173)297-77-68-186(255)284-242(297)326)390-407(338,424)365-113-177-164(90-199(382-177)306-94-131(4)233(317)288-246(306)330)394-410(341,427)360-108-168-155(81-190(373-168)292-72-63-181(250)279-237(292)321)385-402(333,419)355-103-150-218(213(351-8)145(310-126-274-203-223(259)264-121-269-228(203)310)98-301(150)208(138-52-32-16-33-53-138)139-54-34-17-35-55-139)398-414(345,431)367-115-171-158(84-193(376-171)295-75-66-184(253)282-240(295)324)388-405(336,422)363-111-175-162(88-197(380-175)304-92-129(2)231(315)286-244(304)328)392-408(339,425)358-106-166-153(79-188(371-166)290-70-61-179(248)277-235(290)319)383-400(331,417)353-101-148-216(396-412(343,429)357-105-165-152(313)78-187(370-165)289-69-60-178(247)276-234(289)318)211(349-6)143(308-124-272-201-221(257)262-119-267-226(201)308)96-299(148)206(134-44-24-12-25-45-134)135-46-26-13-27-47-135/h10-77,91-94,118-127,142-177,187-199,205-219,312-313H,78-90,95-117H2,1-9H3,(H,331,417)(H,332,418)(H,333,419)(H,334,420)(H,335,421)(H,336,422)(H,337,423)(H,338,424)(H,339,425)(H,340,426)(H,341,427)(H,342,428)(H,343,429)(H,344,430)(H,345,431)(H,346,432)(H,347,433)(H2,247,276,318)(H2,248,277,319)(H2,249,278,320)(H2,250,279,321)(H2,251,280,322)(H2,252,281,323)(H2,253,282,324)(H2,254,283,325)(H2,255,284,326)(H2,256,261,266)(H2,257,262,267)(H2,258,263,268)(H2,259,264,269)(H2,260,265,270)(H,285,314,327)(H,286,315,328)(H,287,316,329)(H,288,317,330)

InChIKey

NPMZDRBCTIHFIP-UHFFFAOYSA-N

Compound name

1-[4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-1-benzhydryl-2-(hydroxymethyl)-4-methoxypiperidin-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16207225