Isis 10483

Structural Information

Molecular Formula

C₁₇₂H₂₂₁N₆₂O₈₉P₁₇S₁₇

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)(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=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C172H221N62O89P17S17/c1-71-39-225(169(251)213-153(71)237)119-21-75(236)94(290-119)44-272-324(255,341)308-77-23-121(218-14-6-112(174)202-162(218)244)291-95(77)45-277-335(266,352)318-87-33-131(229-65-195-137-143(181)187-61-191-147(137)229)301-105(87)55-283-329(260,346)312-82-28-126(223-19-11-117(179)207-167(223)249)296-100(82)50-279-337(268,354)319-88-34-132(230-66-196-138-144(182)188-62-192-148(138)230)303-107(88)57-285-339(270,356)321-90-36-134(232-68-198-140-146(184)190-64-194-150(140)232)302-106(90)56-284-328(259,345)311-80-26-124(221-17-9-115(177)205-165(221)247)293-97(80)47-275-326(257,343)309-78-24-122(219-15-7-113(175)203-163(219)245)292-96(78)46-274-327(258,344)310-79-25-123(220-16-8-114(176)204-164(220)246)295-99(79)49-278-336(267,353)320-89-35-133(231-67-197-139-145(183)189-63-193-149(139)231)304-108(89)58-286-340(271,357)323-92-38-136(234-70-200-142-152(234)210-160(186)212-158(142)242)306-110(92)60-288-331(262,348)314-83-29-127(224-20-12-118(180)208-168(224)250)297-101(83)51-280-338(269,355)322-91-37-135(233-69-199-141-151(233)209-159(185)211-157(141)241)305-109(91)59-287-330(261,347)313-81-27-125(222-18-10-116(178)206-166(222)248)294-98(81)48-276-332(263,349)315-85-31-129(227-41-73(3)155(239)215-171(227)253)299-103(85)53-282-334(265,351)317-86-32-130(228-42-74(4)156(240)216-172(228)254)300-104(86)54-281-333(264,350)316-84-30-128(226-40-72(2)154(238)214-170(226)252)298-102(84)52-273-325(256,342)307-76-22-120(289-93(76)43-235)217-13-5-111(173)201-161(217)243/h5-20,39-42,61-70,75-110,119-136,235-236H,21-38,43-60H2,1-4H3,(H,255,341)(H,256,342)(H,257,343)(H,258,344)(H,259,345)(H,260,346)(H,261,347)(H,262,348)(H,263,349)(H,264,350)(H,265,351)(H,266,352)(H,267,353)(H,268,354)(H,269,355)(H,270,356)(H,271,357)(H2,173,201,243)(H2,174,202,244)(H2,175,203,245)(H2,176,204,246)(H2,177,205,247)(H2,178,206,248)(H2,179,207,249)(H2,180,208,250)(H2,181,187,191)(H2,182,188,192)(H2,183,189,193)(H2,184,190,194)(H,213,237,251)(H,214,238,252)(H,215,239,253)(H,216,240,254)(H3,185,209,211,241)(H3,186,210,212,242)

InChIKey

RHCWBJRZKUDTDY-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204722