Irs1anti-b

Structural Information

Molecular Formula

C₁₉₂H₂₄₃N₇₈O₉₈P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)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)O

InChI

InChI=1S/C192H243N78O98P19S19/c1-74-39-259(191(290)249-167(74)273)132-27-84(357-377(300,396)325-54-109-89(32-137(343-109)264-67-220-147-160(264)235-176(204)242-169(147)275)359-369(292,388)311-42-97-76(272)19-124(331-97)251-11-3-116(193)227-183(251)282)104(338-132)49-319-373(296,392)353-80-23-128(255-15-7-120(197)231-187(255)286)332-98(80)43-313-371(294,390)351-78-21-126(253-13-5-118(195)229-185(253)284)334-100(78)45-315-379(302,398)360-87-30-135(262-65-218-145-155(202)212-62-215-158(145)262)341-107(87)52-321-374(297,393)354-82-25-130(257-17-9-122(199)233-189(257)288)335-101(82)46-316-380(303,399)361-88-31-136(263-66-219-146-156(203)213-63-216-159(146)263)342-108(88)53-322-384(307,403)365-94-37-142(269-72-225-152-165(269)240-181(209)247-174(152)280)348-114(94)59-328-385(308,404)366-92-35-140(267-70-223-150-163(267)238-179(207)245-172(150)278)345-111(92)56-324-375(298,394)355-81-24-129(256-16-8-121(198)232-188(256)287)333-99(81)44-314-372(295,391)352-79-22-127(254-14-6-119(196)230-186(254)285)336-102(79)47-317-381(304,400)363-90-33-138(265-68-221-148-161(265)236-177(205)243-170(148)276)344-110(90)55-323-376(299,395)356-83-26-131(258-18-10-123(200)234-190(258)289)337-103(83)48-318-382(305,401)364-91-34-139(266-69-222-149-162(266)237-178(206)244-171(149)277)347-113(91)58-327-387(310,406)368-95-38-143(270-73-226-153-166(270)241-182(210)248-175(153)281)349-115(95)60-329-386(309,405)367-93-36-141(268-71-224-151-164(268)239-180(208)246-173(151)279)346-112(93)57-326-378(301,397)358-85-28-133(260-40-75(2)168(274)250-192(260)291)339-105(85)50-320-383(306,402)362-86-29-134(261-64-217-144-154(201)211-61-214-157(144)261)340-106(86)51-312-370(293,389)350-77-20-125(330-96(77)41-271)252-12-4-117(194)228-184(252)283/h3-18,39-40,61-73,76-115,124-143,271-272H,19-38,41-60H2,1-2H3,(H,292,388)(H,293,389)(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)(H2,193,227,282)(H2,194,228,283)(H2,195,229,284)(H2,196,230,285)(H2,197,231,286)(H2,198,232,287)(H2,199,233,288)(H2,200,234,289)(H2,201,211,214)(H2,202,212,215)(H2,203,213,216)(H,249,273,290)(H,250,274,291)(H3,204,235,242,275)(H3,205,236,243,276)(H3,206,237,244,277)(H3,207,238,245,278)(H3,208,239,246,279)(H3,209,240,247,280)(H3,210,241,248,281)

InChIKey

DHMXKUKDEBLFFS-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204557