1-[4-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1h-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₄₅H₁₈₃N₆₂O₇₁P₁₅S₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)O)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C(N=CN=C76)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C145H183N62O71P15S15/c1-58-27-198(145(218)192-133(58)209)99-17-64(79(255-99)33-240-281(222,296)265-60-13-95(194-8-3-90(147)182-141(194)214)251-75(60)29-235-279(219,220)294)269-284(225,299)242-35-81-68(21-103(257-81)202-52-175-112-121(154)163-46-169-127(112)202)272-287(228,302)243-36-82-65(18-100(258-82)199-49-172-109-118(151)160-43-166-124(109)199)271-286(227,301)239-32-78-62(15-97(254-78)196-10-5-92(149)184-143(196)216)267-282(223,297)237-31-77-63(16-98(253-77)197-11-6-93(150)185-144(197)217)268-283(224,298)241-34-80-67(20-102(256-80)201-51-174-111-120(153)162-45-168-126(111)201)273-288(229,303)247-40-86-72(25-107(262-86)206-56-179-116-131(206)187-138(158)190-135(116)211)277-292(233,307)245-38-84-70(23-105(260-84)204-54-177-114-123(156)165-48-171-129(114)204)275-290(231,305)249-42-88-73(26-108(264-88)207-57-180-117-132(207)188-139(159)191-136(117)212)278-293(234,308)246-39-85-69(22-104(261-85)203-53-176-113-122(155)164-47-170-128(113)203)274-289(230,304)248-41-87-71(24-106(263-87)205-55-178-115-130(205)186-137(157)189-134(115)210)276-291(232,306)244-37-83-66(19-101(259-83)200-50-173-110-119(152)161-44-167-125(110)200)270-285(226,300)238-30-76-61(14-96(252-76)195-9-4-91(148)183-142(195)215)266-280(221,295)236-28-74-59(208)12-94(250-74)193-7-2-89(146)181-140(193)213/h2-11,27,43-57,59-88,94-108,208H,12-26,28-42H2,1H3,(H,221,295)(H,222,296)(H,223,297)(H,224,298)(H,225,299)(H,226,300)(H,227,301)(H,228,302)(H,229,303)(H,230,304)(H,231,305)(H,232,306)(H,233,307)(H,234,308)(H2,146,181,213)(H2,147,182,214)(H2,148,183,215)(H2,149,184,216)(H2,150,185,217)(H2,151,160,166)(H2,152,161,167)(H2,153,162,168)(H2,154,163,169)(H2,155,164,170)(H2,156,165,171)(H,192,209,218)(H2,219,220,294)(H3,157,186,189,210)(H3,158,187,190,211)(H3,159,188,191,212)

InChIKey

RDVNMMVBHOZDPQ-UHFFFAOYSA-N

Compound name

1-[4-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204546