Dbm-2241

Structural Information

Molecular Formula

C₁₇₁H₂₂₁N₆₀O₈₈P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=NC6=C(N=CN=C65)N)N7C=CC(=NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=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=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=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(=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=CC(=NC1=O)N)O)S

InChI

InChI=1S/C171H221N60O88P17S17/c1-73-41-223(168(247)210-155(73)234)131-33-87(105(295-131)55-277-322(253,339)304-79-25-123(215-15-6-114(173)202-160(215)239)287-97(79)47-269-321(252,338)303-78-24-135(285-95(78)45-232)227-68-196-140-145(181)186-63-191-150(140)227)312-331(262,348)271-49-99-84(30-128(289-99)220-20-11-119(178)207-165(220)244)309-327(258,344)282-60-110-92(38-137(300-110)229-70-198-142-147(183)188-65-193-152(142)229)317-335(266,352)275-53-103-81(27-125(293-103)217-17-8-116(175)204-162(217)241)306-324(255,341)279-57-107-89(35-133(297-107)225-43-75(3)157(236)212-170(225)249)314-333(264,350)273-51-101-86(32-130(291-101)222-22-13-121(180)209-167(222)246)311-329(260,346)284-62-112-94(40-139(302-112)231-72-200-144-149(185)190-67-195-154(144)231)319-336(267,353)276-54-104-82(28-126(294-104)218-18-9-117(176)205-163(218)242)307-325(256,342)280-58-108-90(36-134(298-108)226-44-76(4)158(237)213-171(226)250)315-332(263,349)272-50-100-85(31-129(290-100)221-21-12-120(179)208-166(221)245)310-328(259,345)283-61-111-93(39-138(301-111)230-71-199-143-148(184)189-66-194-153(143)230)318-334(265,351)274-52-102-80(26-124(292-102)216-16-7-115(174)203-161(216)240)305-323(254,340)278-56-106-88(34-132(296-106)224-42-74(2)156(235)211-169(224)248)313-330(261,347)270-48-98-83(29-127(288-98)219-19-10-118(177)206-164(219)243)308-326(257,343)281-59-109-91(37-136(299-109)228-69-197-141-146(182)187-64-192-151(141)228)316-320(251,337)268-46-96-77(233)23-122(286-96)214-14-5-113(172)201-159(214)238/h5-22,41-44,63-72,77-112,122-139,232-233H,23-40,45-62H2,1-4H3,(H,251,337)(H,252,338)(H,253,339)(H,254,340)(H,255,341)(H,256,342)(H,257,343)(H,258,344)(H,259,345)(H,260,346)(H,261,347)(H,262,348)(H,263,349)(H,264,350)(H,265,351)(H,266,352)(H,267,353)(H2,172,201,238)(H2,173,202,239)(H2,174,203,240)(H2,175,204,241)(H2,176,205,242)(H2,177,206,243)(H2,178,207,244)(H2,179,208,245)(H2,180,209,246)(H2,181,186,191)(H2,182,187,192)(H2,183,188,193)(H2,184,189,194)(H2,185,190,195)(H,210,234,247)(H,211,235,248)(H,212,236,249)(H,213,237,250)

InChIKey

PAKPJJOUNOFFAO-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207231