Dbm-2136

Structural Information

Molecular Formula

C₁₇₃H₂₂₀N₆₇O₈₈P₁₇S₁₇

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(=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=C(N=CN=C21)N)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)S)N1C=NC2=C1N=C(NC2=O)N)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C173H220N67O88P17S17/c1-69-36-230(171(257)220-153(69)243)122-26-80(319-329(260,346)277-40-91-72(242)18-115(295-91)223-11-4-108(174)205-164(223)250)98(302-122)47-287-341(272,358)322-83-29-126(234-62-198-134-142(182)190-58-194-146(134)234)307-103(83)52-290-344(275,361)327-88-34-131(239-67-203-139-151(239)214-162(187)218-158(139)248)309-105(88)54-291-342(273,359)323-85-31-128(236-64-200-136-144(184)192-60-196-148(136)236)306-102(85)51-289-336(267,353)318-79-25-121(229-17-10-114(180)211-170(229)256)299-95(79)44-282-338(269,355)321-82-28-124(232-38-71(3)155(245)222-173(232)259)304-100(82)49-286-334(265,351)316-77-23-119(227-15-8-112(178)209-168(227)254)301-97(77)46-284-340(271,357)326-87-33-130(238-66-202-138-150(238)213-161(186)217-157(138)247)311-107(87)56-293-345(276,362)328-89-35-132(240-68-204-140-152(240)215-163(188)219-159(140)249)310-106(89)55-292-343(274,360)324-84-30-127(235-63-199-135-143(183)191-59-195-147(135)235)305-101(84)50-288-335(266,352)317-78-24-120(228-16-9-113(179)210-169(228)255)297-93(78)42-280-331(262,348)313-74-20-116(224-12-5-109(175)206-165(224)251)296-92(74)41-279-332(263,349)314-75-21-117(225-13-6-110(176)207-166(225)252)298-94(75)43-281-337(268,354)320-81-27-123(231-37-70(2)154(244)221-172(231)258)303-99(81)48-285-333(264,350)315-76-22-118(226-14-7-111(177)208-167(226)253)300-96(76)45-283-339(270,356)325-86-32-129(237-65-201-137-149(237)212-160(185)216-156(137)246)308-104(86)53-278-330(261,347)312-73-19-125(294-90(73)39-241)233-61-197-133-141(181)189-57-193-145(133)233/h4-17,36-38,57-68,72-107,115-132,241-242H,18-35,39-56H2,1-3H3,(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)(H,272,358)(H,273,359)(H,274,360)(H,275,361)(H,276,362)(H2,174,205,250)(H2,175,206,251)(H2,176,207,252)(H2,177,208,253)(H2,178,209,254)(H2,179,210,255)(H2,180,211,256)(H2,181,189,193)(H2,182,190,194)(H2,183,191,195)(H2,184,192,196)(H,220,243,257)(H,221,244,258)(H,222,245,259)(H3,185,212,216,246)(H3,186,213,217,247)(H3,187,214,218,248)(H3,188,215,219,249)

InChIKey

QPKVBMJLPPACSE-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207211