Isis 10470

Structural Information

Molecular Formula

C₁₆₅H₂₁₀N₆₀O₈₇P₁₆S₁₆

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(OC1CO)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/C165H210N60O87P16S16/c1-64-33-214(161(243)204-141(64)228)108-16-69(227)87(281-108)39-264-313(248,329)298-71-18-110(210-12-7-104(167)190-157(210)239)282-88(71)40-266-318(253,334)303-76-23-115(216-35-66(3)143(230)206-163(216)245)288-94(76)46-271-325(260,341)309-82-29-121(222-60-185-128-137(222)195-152(174)200-147(128)234)295-101(82)53-278-327(262,343)311-84-31-123(224-62-187-130-139(224)197-154(176)202-149(130)236)292-98(84)50-275-317(252,333)301-74-21-113(213-15-10-107(170)193-160(213)242)284-90(74)42-268-322(257,338)306-79-26-118(219-57-182-125-132(171)178-55-180-134(125)219)290-96(79)48-273-316(251,332)300-73-20-112(212-14-9-106(169)192-159(212)241)285-91(73)43-269-323(258,339)308-81-28-120(221-59-184-127-136(221)194-151(173)199-146(127)233)293-99(81)51-276-320(255,336)305-78-25-117(218-37-68(5)145(232)208-165(218)247)289-95(78)47-272-326(261,342)310-83-30-122(223-61-186-129-138(223)196-153(175)201-148(129)235)296-102(83)54-279-328(263,344)312-85-32-124(225-63-188-131-140(225)198-155(177)203-150(131)237)294-100(85)52-277-321(256,337)304-77-24-116(217-36-67(4)144(231)207-164(217)246)287-93(77)45-270-324(259,340)307-80-27-119(220-58-183-126-133(172)179-56-181-135(126)220)291-97(80)49-274-315(250,331)299-72-19-111(211-13-8-105(168)191-158(211)240)283-89(72)41-267-319(254,335)302-75-22-114(215-34-65(2)142(229)205-162(215)244)286-92(75)44-265-314(249,330)297-70-17-109(280-86(70)38-226)209-11-6-103(166)189-156(209)238/h6-15,33-37,55-63,69-102,108-124,226-227H,16-32,38-54H2,1-5H3,(H,248,329)(H,249,330)(H,250,331)(H,251,332)(H,252,333)(H,253,334)(H,254,335)(H,255,336)(H,256,337)(H,257,338)(H,258,339)(H,259,340)(H,260,341)(H,261,342)(H,262,343)(H,263,344)(H2,166,189,238)(H2,167,190,239)(H2,168,191,240)(H2,169,192,241)(H2,170,193,242)(H2,171,178,180)(H2,172,179,181)(H,204,228,243)(H,205,229,244)(H,206,230,245)(H,207,231,246)(H,208,232,247)(H3,173,194,199,233)(H3,174,195,200,234)(H3,175,196,201,235)(H3,176,197,202,236)(H3,177,198,203,237)

InChIKey

OSWJJVFTXWMUNL-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-[[[5-(4-amino-2-oxopyrimidin-1-yl)-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]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 16131639