Isis 10471

Structural Information

Molecular Formula

C₁₇₅H₂₂₂N₆₅O₉₂P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=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(=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)OC1CC(OC1CO)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=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C175H222N65O92P17S17/c1-67-34-228(171(259)218-149(67)243)113-16-72(242)91(299-113)40-281-333(264,350)317-74-18-114(223-11-6-108(176)201-166(223)254)301-93(74)42-283-339(270,356)323-80-24-120(230-36-69(3)151(245)220-173(230)261)307-99(80)48-289-346(277,363)329-86-30-127(237-63-197-135-145(237)208-162(185)214-156(135)250)314-106(86)55-296-348(279,365)331-88-32-129(239-65-199-137-147(239)210-164(187)216-158(137)252)311-103(88)52-293-338(269,355)321-78-22-118(227-15-10-112(180)205-170(227)258)303-95(78)44-285-343(274,360)326-83-27-123(233-59-193-131-139(181)189-57-191-141(131)233)309-101(83)50-291-337(268,354)320-77-21-117(226-14-9-111(179)204-169(226)257)304-96(77)45-286-344(275,361)328-85-29-126(236-62-196-134-144(236)207-161(184)213-155(134)249)312-104(85)53-294-341(272,358)325-82-26-122(232-38-71(5)153(247)222-175(232)263)308-100(82)49-290-347(278,364)330-87-31-128(238-64-198-136-146(238)209-163(186)215-157(136)251)315-107(87)56-297-349(280,366)332-89-33-130(240-66-200-138-148(240)211-165(188)217-159(138)253)313-105(89)54-295-342(273,359)324-81-25-121(231-37-70(4)152(246)221-174(231)262)306-98(81)47-288-345(276,362)327-84-28-124(234-60-194-132-140(182)190-58-192-142(132)234)310-102(84)51-292-336(267,353)319-76-20-116(225-13-8-110(178)203-168(225)256)302-94(76)43-284-340(271,357)322-79-23-119(229-35-68(2)150(244)219-172(229)260)305-97(79)46-287-335(266,352)318-75-19-115(224-12-7-109(177)202-167(224)255)300-92(75)41-282-334(265,351)316-73-17-125(298-90(73)39-241)235-61-195-133-143(235)206-160(183)212-154(133)248/h6-15,34-38,57-66,72-107,113-130,241-242H,16-33,39-56H2,1-5H3,(H,264,350)(H,265,351)(H,266,352)(H,267,353)(H,268,354)(H,269,355)(H,270,356)(H,271,357)(H,272,358)(H,273,359)(H,274,360)(H,275,361)(H,276,362)(H,277,363)(H,278,364)(H,279,365)(H,280,366)(H2,176,201,254)(H2,177,202,255)(H2,178,203,256)(H2,179,204,257)(H2,180,205,258)(H2,181,189,191)(H2,182,190,192)(H,218,243,259)(H,219,244,260)(H,220,245,261)(H,221,246,262)(H,222,247,263)(H3,183,206,212,248)(H3,184,207,213,249)(H3,185,208,214,250)(H3,186,209,215,251)(H3,187,210,216,252)(H3,188,211,217,253)

InChIKey

PQMPVCRUIGHASL-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204728