Isis 6548

Structural Information

Molecular Formula

C₁₉₈H₂₅₁N₆₆O₁₀₆P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)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=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=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)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(=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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C198H251N66O106P19S19/c1-76-35-247(189(284)235-167(76)267)130-16-87(106(45-265)332-130)352-372(295,391)314-48-109-90(19-132(335-109)249-37-78(3)169(269)237-191(249)286)355-374(297,393)315-47-108-88(17-129(334-108)246-14-12-127(200)224-188(246)283)353-373(296,392)316-50-111-91(20-133(337-111)250-38-79(4)170(270)238-192(250)287)356-376(299,395)318-51-112-92(21-134(338-112)251-39-80(5)171(271)239-193(251)288)358-378(301,397)321-54-115-97(26-139(341-115)256-44-85(10)176(276)244-198(256)293)362-381(304,400)327-60-121-102(31-144(347-121)261-72-219-152-163(261)226-183(205)231-178(152)278)367-386(309,405)326-59-120-100(29-142(346-120)259-70-217-150-158(203)211-67-214-161(150)259)365-385(308,404)329-62-123-104(33-146(349-123)263-74-221-154-165(263)228-185(207)233-180(154)280)369-388(311,407)330-63-124-101(30-143(350-124)260-71-218-151-162(260)225-182(204)230-177(151)277)366-383(306,402)323-56-117-95(24-137(343-117)254-42-83(8)174(274)242-196(254)291)360-379(302,398)319-52-113-93(22-135(339-113)252-40-81(6)172(272)240-194(252)289)357-377(300,396)320-53-114-96(25-138(340-114)255-43-84(9)175(275)243-197(255)292)361-380(303,399)324-57-118-99(28-141(344-118)258-69-216-149-157(202)210-66-213-160(149)258)364-384(307,403)328-61-122-105(34-147(348-122)264-75-222-155-166(264)229-186(208)234-181(155)281)370-389(312,408)331-64-125-103(32-145(351-125)262-73-220-153-164(262)227-184(206)232-179(153)279)368-387(310,406)325-58-119-98(27-140(345-119)257-68-215-148-156(201)209-65-212-159(148)257)363-382(305,401)322-55-116-94(23-136(342-116)253-41-82(7)173(273)241-195(253)290)359-375(298,394)317-49-110-89(18-131(336-110)248-36-77(2)168(268)236-190(248)285)354-371(294,390)313-46-107-86(266)15-128(333-107)245-13-11-126(199)223-187(245)282/h11-14,35-44,65-75,86-125,128-147,265-266H,15-34,45-64H2,1-10H3,(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H2,199,223,282)(H2,200,224,283)(H2,201,209,212)(H2,202,210,213)(H2,203,211,214)(H,235,267,284)(H,236,268,285)(H,237,269,286)(H,238,270,287)(H,239,271,288)(H,240,272,289)(H,241,273,290)(H,242,274,291)(H,243,275,292)(H,244,276,293)(H3,204,225,230,277)(H3,205,226,231,278)(H3,206,227,232,279)(H3,207,228,233,280)(H3,208,229,234,281)

InChIKey

UJEYKMIBWAALMA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204706