Dbm-2191

Structural Information

Molecular Formula

C₁₇₄H₂₁₃N₅₉O₇₃P₁₄S₁₄

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)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=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)CO)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=C(N=CN=C21)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)O

InChI

InChI=1S/C174H213N59O73P14S14/c1-79-50-225(173(248)215-157(79)236)128-44-96(299-313(256,327)270-57-103-90(38-122(281-103)217-31-25-115(175)201-167(217)242)293-307(250,321)266-55-88-146(306-319(262,333)267-56-102-89(235)37-121(280-102)230-75-197-137-153(230)207-163(184)211-159(137)238)144(265-4)86(228-73-195-135-148(182)189-70-192-151(135)228)53-224(88)142(83-21-13-7-14-22-83)84-23-15-8-16-24-84)109(287-128)63-274-310(253,324)296-93-41-125(220-34-28-118(178)204-170(220)245)285-107(93)61-272-315(258,329)302-99-47-131(231-76-198-138-154(231)208-164(185)212-160(138)239)291-113(99)67-278-318(261,332)303-100-48-132(232-77-199-139-155(232)209-165(186)213-161(139)240)290-112(100)66-277-317(260,331)301-98-46-130(229-74-196-136-149(183)190-71-193-152(136)229)289-111(98)65-276-312(255,326)298-95-43-127(222-36-30-120(180)206-172(222)247)283-105(95)59-269-308(251,322)294-91-39-123(218-32-26-116(176)202-168(218)243)282-104(91)58-268-309(252,323)295-92-40-124(219-33-27-117(177)203-169(219)244)284-106(92)60-271-314(257,328)300-97-45-129(226-51-80(2)158(237)216-174(226)249)288-110(97)64-275-311(254,325)297-94-42-126(221-35-29-119(179)205-171(221)246)286-108(94)62-273-316(259,330)304-101-49-133(233-78-200-140-156(233)210-166(187)214-162(140)241)292-114(101)68-279-320(263,334)305-145-87(54-234)223(141(81-17-9-5-10-18-81)82-19-11-6-12-20-82)52-85(143(145)264-3)227-72-194-134-147(181)188-69-191-150(134)227/h5-36,50-51,69-78,85-114,121-133,141-146,234-235H,37-49,52-68H2,1-4H3,(H,250,321)(H,251,322)(H,252,323)(H,253,324)(H,254,325)(H,255,326)(H,256,327)(H,257,328)(H,258,329)(H,259,330)(H,260,331)(H,261,332)(H,262,333)(H,263,334)(H2,175,201,242)(H2,176,202,243)(H2,177,203,244)(H2,178,204,245)(H2,179,205,246)(H2,180,206,247)(H2,181,188,191)(H2,182,189,192)(H2,183,190,193)(H,215,236,248)(H,216,237,249)(H3,184,207,211,238)(H3,185,208,212,239)(H3,186,209,213,240)(H3,187,210,214,241)

InChIKey

HYWNYUKYSSVHIX-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-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)oxolan-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-hydroxyoxolan-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 16207219