Isis 10485

Structural Information

Molecular Formula

C₁₉₇H₂₄₈N₇₃O₁₀₃P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OCC9C(CC(O9)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)OP(=S)(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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)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(=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=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C197H248N73O103P19S19/c1-74-34-254(191(290)244-167(74)273)128-15-82(101(41-271)335-128)355-375(298,394)317-52-112-92(25-135(346-112)261-64-217-144-154(201)211-61-214-157(144)261)367-389(312,408)332-58-118-100(33-143(352-118)270-73-226-153-166(270)236-187(210)243-180(153)286)373-392(315,411)334-60-120-99(32-142(354-120)269-72-225-152-165(269)235-186(209)242-179(152)285)371-390(313,409)328-54-114-94(27-137(348-114)263-66-219-146-156(203)213-63-216-159(146)263)366-386(309,405)323-49-109-89(22-132(343-109)258-38-78(5)171(277)248-195(258)294)362-381(304,400)322-48-108-88(21-131(342-108)257-37-77(4)170(276)247-194(257)293)361-380(303,399)319-44-104-85(18-127(338-104)253-13-10-123(200)229-190(253)289)358-378(301,397)329-55-115-96(29-139(349-115)266-69-222-149-162(266)232-183(206)239-176(149)282)369-388(311,407)326-51-111-91(24-134(345-111)260-40-80(7)173(279)250-197(260)296)364-382(305,401)330-56-116-95(28-138(350-116)265-68-221-148-161(265)231-182(205)238-175(148)281)368-384(307,403)320-45-105-83(16-125(339-105)251-11-8-121(198)227-188(251)287)356-376(299,395)321-47-107-87(20-130(341-107)256-36-76(3)169(275)246-193(256)292)360-379(302,398)318-43-103-84(17-126(337-103)252-12-9-122(199)228-189(252)288)357-377(300,396)327-53-113-93(26-136(347-113)262-65-218-145-155(202)212-62-215-158(145)262)365-385(308,404)324-50-110-90(23-133(344-110)259-39-79(6)172(278)249-196(259)295)363-383(306,402)331-57-117-98(31-141(351-117)268-71-224-151-164(268)234-185(208)241-178(151)284)372-391(314,410)333-59-119-97(30-140(353-119)267-70-223-150-163(267)233-184(207)240-177(150)283)370-387(310,406)325-46-106-86(19-129(340-106)255-35-75(2)168(274)245-192(255)291)359-374(297,393)316-42-102-81(272)14-124(336-102)264-67-220-147-160(264)230-181(204)237-174(147)280/h8-13,34-40,61-73,81-120,124-143,271-272H,14-33,41-60H2,1-7H3,(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)(H,313,409)(H,314,410)(H,315,411)(H2,198,227,287)(H2,199,228,288)(H2,200,229,289)(H2,201,211,214)(H2,202,212,215)(H2,203,213,216)(H,244,273,290)(H,245,274,291)(H,246,275,292)(H,247,276,293)(H,248,277,294)(H,249,278,295)(H,250,279,296)(H3,204,230,237,280)(H3,205,231,238,281)(H3,206,232,239,282)(H3,207,233,240,283)(H3,208,234,241,284)(H3,209,235,242,285)(H3,210,236,243,286)

InChIKey

VBQINRFUSVAZHR-UHFFFAOYSA-N

Compound name

1-[4-[[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-[[3-[[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-hydroxyoxolan-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-(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-methyl-2,4-dioxopyrimidin-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-(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-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16131626