Isis 9036

Structural Information

Molecular Formula

C₁₄₆H₁₈₅N₅₅O₇₆P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)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)OP(=O)(OCC1C(CC(O1)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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

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

BDISGNIEDCTBAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131645