Isis 9559

Structural Information

Molecular Formula

C₁₇₆H₂₂₂N₆₇O₉₂P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=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(=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=C(C(=O)NC1=O)C)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)O

InChI

InChI=1S/C176H222N67O92P17S17/c1-66-32-230(172(262)221-149(66)246)111-14-71(245)90(302-111)38-284-336(267,353)328-83-26-123(238-60-197-132-143(238)208-162(184)215-155(132)252)313-101(83)49-299-351(282,368)334-87-30-127(242-64-201-136-147(242)212-166(188)219-159(136)256)314-102(87)50-295-341(272,358)323-76-19-115(229-13-9-110(180)206-171(229)261)304-92(76)40-287-346(277,363)329-81-24-120(235-57-194-129-138(181)190-55-192-140(129)235)311-99(81)47-293-340(271,357)322-75-18-114(228-12-8-109(179)205-170(228)260)306-94(75)42-289-348(279,365)332-85-28-125(240-62-199-134-145(240)210-164(186)217-157(134)254)316-104(85)52-297-344(275,361)327-80-23-119(234-36-70(5)153(250)225-176(234)266)310-98(80)46-292-350(281,367)333-86-29-126(241-63-200-135-146(241)211-165(187)218-158(135)255)318-106(86)54-300-352(283,369)335-88-31-128(243-65-202-137-148(243)213-167(189)220-160(137)257)317-105(88)53-298-345(276,362)326-79-22-118(233-35-69(4)152(249)224-175(233)265)309-97(79)45-291-349(280,366)330-82-25-121(236-58-195-130-139(182)191-56-193-141(130)236)312-100(82)48-294-339(270,356)321-74-17-113(227-11-7-108(178)204-169(227)259)303-91(74)39-286-342(273,359)324-78-21-117(232-34-68(3)151(248)223-174(232)264)308-96(78)44-290-338(269,355)320-73-16-112(226-10-6-107(177)203-168(226)258)305-93(73)41-288-347(278,364)331-84-27-124(239-61-198-133-144(239)209-163(185)216-156(133)253)315-103(84)51-296-343(274,360)325-77-20-116(231-33-67(2)150(247)222-173(231)263)307-95(77)43-285-337(268,354)319-72-15-122(301-89(72)37-244)237-59-196-131-142(237)207-161(183)214-154(131)251/h6-13,32-36,55-65,71-106,111-128,244-245H,14-31,37-54H2,1-5H3,(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)(H,281,367)(H,282,368)(H,283,369)(H2,177,203,258)(H2,178,204,259)(H2,179,205,260)(H2,180,206,261)(H2,181,190,192)(H2,182,191,193)(H,221,246,262)(H,222,247,263)(H,223,248,264)(H,224,249,265)(H,225,250,266)(H3,183,207,214,251)(H3,184,208,215,252)(H3,185,209,216,253)(H3,186,210,217,254)(H3,187,211,218,255)(H3,188,212,219,256)(H3,189,213,220,257)

InChIKey

DZWJVIJNVKAOSV-UHFFFAOYSA-N

Compound name

1-[5-[[[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-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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-(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]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204729