Isis 10482

Structural Information

Molecular Formula

C₁₆₃H₂₀₉N₅₉O₈₄P₁₆S₁₆

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(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)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)O

InChI

InChI=1S/C163H209N59O84P16S16/c1-67-36-213(160(238)202-145(67)225)112-19-71(224)89(275-112)41-258-307(242,323)292-73-21-113(206-12-5-105(164)191-153(206)231)276-90(73)42-263-317(252,333)301-82-30-123(217-61-185-129-135(171)177-57-181-139(129)217)285-99(82)51-268-312(247,328)296-78-26-118(211-17-10-110(169)196-158(211)236)281-95(78)47-265-319(254,335)302-83-31-124(218-62-186-130-136(172)178-58-182-140(130)218)287-101(83)53-270-321(256,337)304-85-33-126(220-64-188-132-138(174)180-60-184-142(132)220)286-100(85)52-269-311(246,327)295-76-24-116(209-15-8-108(167)194-156(209)234)278-92(76)44-261-309(244,325)293-74-22-114(207-13-6-106(165)192-154(207)232)277-91(74)43-260-310(245,326)294-75-23-115(208-14-7-107(166)193-155(208)233)280-94(75)46-264-318(253,334)303-84-32-125(219-63-187-131-137(173)179-59-183-141(131)219)288-102(84)54-271-322(257,338)306-87-35-128(222-66-190-134-144(222)199-152(176)201-150(134)230)290-104(87)56-273-314(249,330)298-79-27-119(212-18-11-111(170)197-159(212)237)282-96(79)48-266-320(255,336)305-86-34-127(221-65-189-133-143(221)198-151(175)200-149(133)229)289-103(86)55-272-313(248,329)297-77-25-117(210-16-9-109(168)195-157(210)235)279-93(77)45-262-315(250,331)299-81-29-122(216-39-70(4)148(228)205-163(216)241)284-98(81)50-267-316(251,332)300-80-28-121(215-38-69(3)147(227)204-162(215)240)283-97(80)49-259-308(243,324)291-72-20-120(274-88(72)40-223)214-37-68(2)146(226)203-161(214)239/h5-18,36-39,57-66,71-104,112-128,223-224H,19-35,40-56H2,1-4H3,(H,242,323)(H,243,324)(H,244,325)(H,245,326)(H,246,327)(H,247,328)(H,248,329)(H,249,330)(H,250,331)(H,251,332)(H,252,333)(H,253,334)(H,254,335)(H,255,336)(H,256,337)(H,257,338)(H2,164,191,231)(H2,165,192,232)(H2,166,193,233)(H2,167,194,234)(H2,168,195,235)(H2,169,196,236)(H2,170,197,237)(H2,171,177,181)(H2,172,178,182)(H2,173,179,183)(H2,174,180,184)(H,202,225,238)(H,203,226,239)(H,204,227,240)(H,205,228,241)(H3,175,198,200,229)(H3,176,199,201,230)

InChIKey

YRFCAARVYORLHS-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131628