T30341

Structural Information

Molecular Formula

C₁₅₀H₁₈₇N₅₇O₈₀P₁₄S₁₄

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(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C150H187N57O80P14S14/c1-52-22-193(145(225)187-121(52)210)89-9-60(77(263-89)32-249-296(239,310)282-67-16-97(202-46-163-106-115(202)172-139(154)181-130(106)219)267-81(67)36-246-289(232,303)274-59-8-95(259-73(59)28-208)200-44-161-104-113(200)170-137(152)179-128(104)217)275-291(234,305)248-31-76-63(12-92(262-76)196-25-55(4)124(213)190-148(196)228)278-293(236,307)255-39-84-71(20-101(270-84)206-50-167-110-119(206)176-143(158)185-134(110)223)286-300(243,314)258-42-87-70(19-100(273-87)205-49-166-109-118(205)175-142(157)184-133(109)222)285-299(242,313)252-35-80-64(13-93(266-80)197-26-56(5)125(214)191-149(197)229)279-294(237,308)254-38-83-68(17-98(269-83)203-47-164-107-116(203)173-140(155)182-131(107)220)283-297(240,311)251-34-79-65(14-94(265-79)198-27-57(6)126(215)192-150(198)230)280-295(238,309)256-40-85-72(21-102(271-85)207-51-168-111-120(207)177-144(159)186-135(111)224)287-301(244,315)257-41-86-69(18-99(272-86)204-48-165-108-117(204)174-141(156)183-132(108)221)284-298(241,312)250-33-78-61(10-90(264-78)194-23-53(2)122(211)188-146(194)226)276-290(233,304)247-30-75-62(11-91(261-75)195-24-54(3)123(212)189-147(195)227)277-292(235,306)253-37-82-66(15-96(268-82)201-45-162-105-114(201)171-138(153)180-129(105)218)281-288(231,302)245-29-74-58(209)7-88(260-74)199-43-160-103-112(199)169-136(151)178-127(103)216/h22-27,43-51,58-102,208-209H,7-21,28-42H2,1-6H3,(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H,237,308)(H,238,309)(H,239,310)(H,240,311)(H,241,312)(H,242,313)(H,243,314)(H,244,315)(H,187,210,225)(H,188,211,226)(H,189,212,227)(H,190,213,228)(H,191,214,229)(H,192,215,230)(H3,151,169,178,216)(H3,152,170,179,217)(H3,153,171,180,218)(H3,154,172,181,219)(H3,155,173,182,220)(H3,156,174,183,221)(H3,157,175,184,222)(H3,158,176,185,223)(H3,159,177,186,224)

InChIKey

UTSDAVIXPDZDMC-UHFFFAOYSA-N

Compound name

1-[5-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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]-5-(5-methyl-2,4-dioxopyrimidin-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]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]-4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16204542