Isis 10489

Structural Information

Molecular Formula

C₁₉₅H₂₄₆N₇₅O₁₀₀P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C(N=CN=C76)N)OP(=S)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=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(=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=NC2=C(N=CN=C21)N)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(=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=CC(=NC1=O)N)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=CC(=NC1=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)O)S

InChI

InChI=1S/C195H246N75O100P19S19/c1-75-36-256(191(289)246-169(75)273)131-17-81(100(41-271)332-131)352-372(295,391)314-43-102-82(18-126(334-102)251-11-6-120(196)229-186(251)284)354-374(297,393)323-53-112-93(29-138(344-112)264-68-222-148-158(204)214-64-218-162(148)264)365-385(308,404)320-49-108-89(25-134(340-108)259-39-78(4)172(276)249-194(259)292)360-381(304,400)329-58-117-99(35-144(349-117)270-74-228-154-168(270)239-185(210)245-179(154)283)370-389(312,408)331-60-119-97(33-142(351-119)268-72-226-152-166(268)237-183(208)243-177(152)281)368-387(310,406)322-51-110-90(26-135(342-110)260-40-79(5)173(277)250-195(260)293)361-380(303,399)328-57-116-95(31-140(348-116)266-70-224-150-164(266)235-181(206)241-175(150)279)366-384(307,403)318-47-106-84(20-128(338-106)253-13-8-122(198)231-188(253)286)355-375(298,394)324-52-111-91(27-136(343-111)262-66-220-146-156(202)212-62-216-160(146)262)363-382(305,401)316-46-105-86(22-130(337-105)255-15-10-124(200)233-190(255)288)357-377(300,396)327-56-115-98(34-143(347-115)269-73-227-153-167(269)238-184(209)244-178(153)282)369-388(311,407)330-59-118-96(32-141(350-118)267-71-225-151-165(267)236-182(207)242-176(151)280)367-386(309,405)321-50-109-87(23-132(341-109)257-37-76(2)170(274)247-192(257)290)358-378(301,397)315-44-103-83(19-127(335-103)252-12-7-121(197)230-187(252)285)353-373(296,392)319-48-107-88(24-133(339-107)258-38-77(3)171(275)248-193(258)291)359-379(302,398)325-54-113-92(28-137(345-113)263-67-221-147-157(203)213-63-217-161(147)263)364-383(306,402)317-45-104-85(21-129(336-104)254-14-9-123(199)232-189(254)287)356-376(299,395)326-55-114-94(30-139(346-114)265-69-223-149-163(265)234-180(205)240-174(149)278)362-371(294,390)313-42-101-80(272)16-125(333-101)261-65-219-145-155(201)211-61-215-159(145)261/h6-15,36-40,61-74,80-119,125-144,271-272H,16-35,41-60H2,1-5H3,(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)(H2,196,229,284)(H2,197,230,285)(H2,198,231,286)(H2,199,232,287)(H2,200,233,288)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,246,273,289)(H,247,274,290)(H,248,275,291)(H,249,276,292)(H,250,277,293)(H3,205,234,240,278)(H3,206,235,241,279)(H3,207,236,242,280)(H3,208,237,243,281)(H3,209,238,244,282)(H3,210,239,245,283)

InChIKey

NTUAVCXYWZVVLP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204720