Isis 9038

Structural Information

Molecular Formula

C₁₄₆H₁₈₅N₅₅O₇₆P₁₄S₁₄

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(OC1CO)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/C146H185N55O76P14S14/c1-56-28-191(143(217)183-125(56)204)94-13-60(203)76(250-94)33-235-278(221,292)265-62-15-96(188-10-6-91(148)170-140(188)214)251-77(62)34-237-282(225,296)268-65-18-99(192-29-57(2)126(205)184-144(192)218)255-81(65)38-241-288(231,302)274-71-24-105(198-52-165-112-121(198)174-135(154)179-130(112)209)262-88(71)45-247-290(233,304)276-73-26-107(200-54-167-114-123(200)176-137(156)181-132(114)211)259-85(73)42-244-281(224,295)267-64-17-98(190-12-8-93(150)172-142(190)216)252-78(64)35-238-285(228,299)271-69-22-103(196-50-163-110-117(152)159-48-161-119(110)196)258-84(69)41-243-280(223,294)266-63-16-97(189-11-7-92(149)171-141(189)215)253-79(63)36-239-286(229,300)273-70-23-104(197-51-164-111-120(197)173-134(153)178-129(111)208)260-86(70)43-245-283(226,297)270-67-20-101(194-31-59(4)128(207)186-146(194)220)256-82(67)39-242-289(232,303)275-72-25-106(199-53-166-113-122(199)175-136(155)180-131(113)210)263-89(72)46-248-291(234,305)277-74-27-108(201-55-168-115-124(201)177-138(157)182-133(115)212)261-87(74)44-246-284(227,298)269-66-19-100(193-30-58(3)127(206)185-145(193)219)254-80(66)37-240-287(230,301)272-68-21-102(195-49-162-109-116(151)158-47-160-118(109)195)257-83(68)40-236-279(222,293)264-61-14-95(249-75(61)32-202)187-9-5-90(147)169-139(187)213/h5-12,28-31,47-55,60-89,94-108,202-203H,13-27,32-46H2,1-4H3,(H,221,292)(H,222,293)(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,227,298)(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H2,147,169,213)(H2,148,170,214)(H2,149,171,215)(H2,150,172,216)(H2,151,158,160)(H2,152,159,161)(H,183,204,217)(H,184,205,218)(H,185,206,219)(H,186,207,220)(H3,153,173,178,208)(H3,154,174,179,209)(H3,155,175,180,210)(H3,156,176,181,211)(H3,157,177,182,212)

InChIKey

RXOSEYQFAZUIDY-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-(hydroxymethyl)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 16131640