Dbm-2193

Structural Information

Molecular Formula

C₂₃₃H₂₈₀N₇₁O₈₈P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6C(N(CC(C6OC)N7C=NC8=C(N=CN=C87)N)C(C9=CC=CC=C9)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(=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=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)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=NC2=C1N=C(NC2=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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C233H280N71O88P17S17/c1-113-76-294(231(321)280-213(113)307)174-69-139(384-401(332,418)351-89-148-134(64-169(364-148)285-57-50-162(236)267-226(285)316)377-394(325,411)346-84-129-199(195(343-6)126(299-107-259-183-203(243)251-103-255-207(183)299)80-291(129)190(118-36-20-10-21-37-118)119-38-22-11-23-39-119)391-408(339,425)360-99-157-142(72-177(373-157)301-109-261-185-209(301)272-220(245)276-216(185)310)378-395(326,412)347-86-131-198(194(342-5)125(298-106-258-182-202(242)250-102-254-206(182)298)82-293(131)192(122-44-28-14-29-45-122)123-46-30-15-31-47-123)390-407(338,424)359-97-155-141(71-176(371-155)296-78-115(3)215(309)282-233(296)323)383-396(327,413)348-87-146-132(306)62-167(362-146)283-55-48-160(234)265-224(283)314)153(369-174)94-355-399(330,416)381-137-67-172(288-60-53-165(239)270-229(288)319)367-151(137)92-353-403(334,420)386-143-73-178(302-110-262-186-210(302)273-221(246)277-217(186)311)372-156(143)96-357-405(336,422)388-145-75-180(304-112-264-188-212(304)275-223(248)279-219(188)313)375-159(145)100-361-409(340,426)392-200-130(292(191(120-40-24-12-25-41-120)121-42-26-13-27-43-121)81-127(196(200)344-7)300-108-260-184-204(244)252-104-256-208(184)300)85-345-393(324,410)376-133-63-168(284-56-49-161(235)266-225(284)315)363-147(133)88-349-397(328,414)379-135-65-170(286-58-51-163(237)268-227(286)317)365-149(135)90-350-398(329,415)380-136-66-171(287-59-52-164(238)269-228(287)318)366-150(136)91-352-402(333,419)385-140-70-175(295-77-114(2)214(308)281-232(295)322)370-154(140)95-356-400(331,417)382-138-68-173(289-61-54-166(240)271-230(289)320)368-152(138)93-354-404(335,421)387-144-74-179(303-111-263-187-211(303)274-222(247)278-218(187)312)374-158(144)98-358-406(337,423)389-197-128(83-305)290(189(116-32-16-8-17-33-116)117-34-18-9-19-35-117)79-124(193(197)341-4)297-105-257-181-201(241)249-101-253-205(181)297/h8-61,76-78,101-112,124-159,167-180,189-200,305-306H,62-75,79-100H2,1-7H3,(H,324,410)(H,325,411)(H,326,412)(H,327,413)(H,328,414)(H,329,415)(H,330,416)(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)(H2,234,265,314)(H2,235,266,315)(H2,236,267,316)(H2,237,268,317)(H2,238,269,318)(H2,239,270,319)(H2,240,271,320)(H2,241,249,253)(H2,242,250,254)(H2,243,251,255)(H2,244,252,256)(H,280,307,321)(H,281,308,322)(H,282,309,323)(H3,245,272,276,310)(H3,246,273,277,311)(H3,247,274,278,312)(H3,248,275,279,313)

InChIKey

PSZOSQQZRLYFQM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207220