5'-d(ggtxtxtxtxtxgtxgtx)-3'-fi

Structural Information

Molecular Formula

C₁₃₁H₁₅₅N₃₅O₇₆P₁₀S

SMILES

CCC(=O)NC(=O)N(C)[C@H]1C[C@H]([C@H](O1)COP(=O)(O)O[C@@H]2C[C@@H](O[C@@H]2COP(=O)(O)O[C@@H]3C[C@@H](O[C@@H]3CO)N4C=NC5=C4N=C(NC5=O)N)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OC[C@@H]8[C@@H](C[C@@H](O8)N9C=C(C(=O)NC9=O)C)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OC(=S)NC1=CC(=C(C=C1)C1=C2C=CC(=O)C=C2OC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C131H155N35O76P10S/c1-9-88(170)141-124(183)156(8)89-20-68(79(222-89)38-211-246(196,197)241-75-28-98(165-49-138-103-107(165)144-122(134)148-117(103)179)229-85(75)44-212-243(190,191)233-67-21-96(221-77(67)36-167)163-47-136-101-105(163)142-120(132)146-115(101)177)234-245(194,195)213-39-80-69(22-91(224-80)158-31-52(3)110(172)151-126(158)185)235-247(198,199)214-40-81-70(23-92(225-81)159-32-53(4)111(173)152-127(159)186)236-248(200,201)215-41-82-71(24-93(226-82)160-33-54(5)112(174)153-128(160)187)237-249(202,203)216-42-83-72(25-94(227-83)161-34-55(6)113(175)154-129(161)188)238-251(206,207)219-46-87-76(29-99(231-87)166-50-139-104-108(166)145-123(135)149-118(104)180)242-252(208,209)217-43-84-73(26-95(228-84)162-35-56(7)114(176)155-130(162)189)239-250(204,205)218-45-86-74(27-97(230-86)164-48-137-102-106(164)143-121(133)147-116(102)178)240-244(192,193)210-37-78-66(19-90(223-78)157-30-51(2)109(171)150-125(157)184)232-131(253)140-57-10-13-60(63(16-57)119(181)182)100-61-14-11-58(168)17-64(61)220-65-18-59(169)12-15-62(65)100/h10-18,30-35,47-50,66-87,89-99,167-168H,9,19-29,36-46H2,1-8H3,(H,140,253)(H,181,182)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,141,170,183)(H,150,171,184)(H,151,172,185)(H,152,173,186)(H,153,174,187)(H,154,175,188)(H,155,176,189)(H3,132,142,146,177)(H3,133,143,147,178)(H3,134,144,148,179)(H3,135,145,149,180)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-/m1/s1

InChIKey

PERMZESAGCZYKK-BVQXZLPDSA-N

Compound name

5-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[methyl(propanoylcarbamoyl)amino]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxycarbothioylamino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 16729339