Inv-as(lys)

Structural Information

Molecular Formula

C₁₅₃H₁₉₆N₅₇O₈₂P₁₅S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=O)(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(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C153H196N57O82P15S14/c1-60-34-202(151(228)192-131(60)213)109-27-72(286-302(241,316)253-44-86-69(24-106(268-86)199-15-8-99(158)179-148(199)225)283-298(237,312)251-42-84-67(22-104(266-84)197-13-6-97(156)177-146(197)223)281-294(233,308)248-38-80-63(212)18-102(263-80)195-11-4-95(154)175-144(195)221)90(272-109)48-257-306(245,320)291-77-32-116(209-58-173-122-129(209)185-142(165)190-137(122)219)276-93(77)51-260-304(243,318)288-74-29-111(204-36-62(3)133(215)194-153(204)230)271-89(74)47-256-303(242,317)287-73-28-110(203-35-61(2)132(214)193-152(203)229)270-88(73)46-255-297(236,311)280-66-21-103(196-12-5-96(155)176-145(196)222)264-81(66)39-247-293(231,232)278-65-20-113(206-55-170-119-126(206)182-139(162)187-134(119)216)273-82(65)40-249-296(235,310)289-75-30-114(207-56-171-120-127(207)183-140(163)188-135(120)217)277-94(75)52-261-307(246,321)292-78-33-117(210-59-174-123-130(210)186-143(166)191-138(123)220)275-92(78)50-259-301(240,315)285-71-26-108(201-17-10-101(160)181-150(201)227)269-87(71)45-254-305(244,319)290-76-31-115(208-57-172-121-128(208)184-141(164)189-136(121)218)274-91(76)49-258-300(239,314)284-70-25-107(200-16-9-100(159)180-149(200)226)267-85(70)43-252-299(238,313)282-68-23-105(198-14-7-98(157)178-147(198)224)265-83(68)41-250-295(234,309)279-64-19-112(262-79(64)37-211)205-54-169-118-124(161)167-53-168-125(118)205/h4-17,34-36,53-59,63-94,102-117,211-212H,18-33,37-52H2,1-3H3,(H,231,232)(H,233,308)(H,234,309)(H,235,310)(H,236,311)(H,237,312)(H,238,313)(H,239,314)(H,240,315)(H,241,316)(H,242,317)(H,243,318)(H,244,319)(H,245,320)(H,246,321)(H2,154,175,221)(H2,155,176,222)(H2,156,177,223)(H2,157,178,224)(H2,158,179,225)(H2,159,180,226)(H2,160,181,227)(H2,161,167,168)(H,192,213,228)(H,193,214,229)(H,194,215,230)(H3,162,182,187,216)(H3,163,183,188,217)(H3,164,184,189,218)(H3,165,185,190,219)(H3,166,186,191,220)

InChIKey

DMBVLMWMSLFMPZ-UHFFFAOYSA-N

Compound name

[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[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-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]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl] [3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-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]oxyoxolan-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16133941