Isis 10478

Structural Information

Molecular Formula

C₁₄₃H₁₈₄N₅₂O₇₅P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=NC7=C6N=C(NC7=O)N)N8C=CC(=NC8=O)N)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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)O)S

InChI

InChI=1S/C143H184N52O75P14S14/c1-58-33-188(141(211)178-125(58)198)106-27-70(86(252-106)46-237-281(224,295)267-72-29-108(190-35-60(3)127(200)180-143(190)213)253-87(72)47-238-280(223,294)266-71-28-107(189-34-59(2)126(199)179-142(189)212)251-85(71)45-236-276(219,290)262-67-24-103(185-15-8-95(148)169-138(185)208)247-81(67)41-231-274(217,288)259-64-21-100(182-12-5-92(145)166-135(182)205)244-78(64)38-229-272(215,286)257-62-19-110(242-76(62)36-196)193-55-162-115-122(193)172-131(153)175-128(115)201)265-279(222,293)233-42-82-68(25-104(248-82)186-16-9-96(149)170-139(186)209)263-277(220,291)240-49-89-74(31-111(255-89)194-56-163-116-123(194)173-132(154)176-129(116)202)269-283(226,297)235-44-84-69(26-105(250-84)187-17-10-97(150)171-140(187)210)264-278(221,292)241-50-90-75(32-112(256-90)195-57-164-117-124(195)174-133(155)177-130(117)203)270-284(227,298)239-48-88-73(30-109(254-88)192-54-161-114-119(152)157-52-159-121(114)192)268-282(225,296)234-43-83-66(23-102(249-83)184-14-7-94(147)168-137(184)207)261-275(218,289)232-40-80-65(22-101(246-80)183-13-6-93(146)167-136(183)206)260-273(216,287)230-39-79-63(20-99(245-79)181-11-4-91(144)165-134(181)204)258-271(214,285)228-37-77-61(197)18-98(243-77)191-53-160-113-118(151)156-51-158-120(113)191/h4-17,33-35,51-57,61-90,98-112,196-197H,18-32,36-50H2,1-3H3,(H,214,285)(H,215,286)(H,216,287)(H,217,288)(H,218,289)(H,219,290)(H,220,291)(H,221,292)(H,222,293)(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,227,298)(H2,144,165,204)(H2,145,166,205)(H2,146,167,206)(H2,147,168,207)(H2,148,169,208)(H2,149,170,209)(H2,150,171,210)(H2,151,156,158)(H2,152,157,159)(H,178,198,211)(H,179,199,212)(H,180,200,213)(H3,153,172,175,201)(H3,154,173,176,202)(H3,155,174,177,203)

InChIKey

LKYXYZXOAUWBDZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204725