Cataggagatgcct

Structural Information

Molecular Formula

C₁₃₇H₁₇₃N₅₅O₇₀P₁₄S₁₄

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

InChI

InChI=1S/C137H173N55O70P14S14/c1-53-24-182(135(204)176-121(53)194)87-10-56(193)70(236-87)27-223-264(209,278)251-58-12-89(180-8-5-85(139)166-133(180)202)238-72(58)29-224-266(211,280)252-59-13-90(181-9-6-86(140)167-134(181)203)239-73(59)30-225-269(214,283)259-66-20-97(189-49-161-105-117(189)168-128(145)172-124(105)197)246-80(66)37-232-268(213,282)254-61-15-92(184-26-55(3)123(196)178-137(184)206)241-75(61)32-227-271(216,285)256-63-17-94(186-46-158-102-110(142)150-42-154-114(102)186)244-78(63)35-230-274(219,288)260-67-21-98(190-50-162-106-118(190)169-129(146)173-125(106)198)247-81(67)38-233-273(218,287)258-65-19-96(188-48-160-104-112(144)152-44-156-116(104)188)245-79(65)36-231-275(220,289)261-68-22-99(191-51-163-107-119(191)170-130(147)174-126(107)199)249-83(68)40-235-276(221,290)262-69-23-100(192-52-164-108-120(192)171-131(148)175-127(108)200)248-82(69)39-234-272(217,286)257-64-18-95(187-47-159-103-111(143)151-43-155-115(103)187)243-77(64)34-229-267(212,281)253-60-14-91(183-25-54(2)122(195)177-136(183)205)240-74(60)31-226-270(215,284)255-62-16-93(185-45-157-101-109(141)149-41-153-113(101)185)242-76(62)33-228-265(210,279)250-57-11-88(179-7-4-84(138)165-132(179)201)237-71(57)28-222-263(207,208)277/h4-9,24-26,41-52,56-83,87-100,193H,10-23,27-40H2,1-3H3,(H,209,278)(H,210,279)(H,211,280)(H,212,281)(H,213,282)(H,214,283)(H,215,284)(H,216,285)(H,217,286)(H,218,287)(H,219,288)(H,220,289)(H,221,290)(H2,138,165,201)(H2,139,166,202)(H2,140,167,203)(H2,141,149,153)(H2,142,150,154)(H2,143,151,155)(H2,144,152,156)(H,176,194,204)(H,177,195,205)(H,178,196,206)(H2,207,208,277)(H3,145,168,172,197)(H3,146,169,173,198)(H3,147,170,174,199)(H3,148,171,175,200)

InChIKey

RWYLAYGERYJKGZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204554