Scrambled p16m3

Structural Information

Molecular Formula

C₁₆₅H₂₂₀N₅₃O₉₈P₁₅S₁₅

SMILES

COC1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=S)(O)OC4C(OC(C4OC)N5C=CC(=NC5=O)N)COP(=S)(O)OC6C(OC(C6OC)N7C=CC(=O)NC7=O)COP(=S)(O)OC8C(OC(C8OC)N9C=NC1=C(N=CN=C19)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=S)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=S)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=O)(OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=O)NC1=O)COP(=S)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)CO)S)O

InChI

InChI=1S/C165H220N53O98P15S15/c1-255-110-94(225)63(287-136(110)216-59-183-91-130(216)197-152(174)200-133(91)226)40-271-317(240,332)303-96-64(288-138(112(96)257-3)204-29-18-79(167)187-156(204)230)42-273-321(244,336)308-102-71(295-144(118(102)263-9)210-35-24-85(221)193-162(210)236)48-279-329(252,344)314-107-75(299-149(123(107)268-14)215-58-182-90-127(173)178-56-180-129(90)215)52-283-325(248,340)307-100-67(291-142(116(100)261-7)208-33-22-83(171)191-160(208)234)45-276-323(246,338)310-104-73(297-146(120(104)265-11)212-37-26-87(223)195-164(212)238)50-281-331(254,346)316-109-77(301-151(125(109)270-16)218-61-185-93-132(218)199-154(176)202-135(93)228)54-285-327(250,342)312-105-70(294-147(121(105)266-12)213-38-27-88(224)196-165(213)239)47-277-320(243,335)305-97-65(289-139(113(97)258-4)205-30-19-80(168)188-157(205)231)43-274-319(242,334)304-98-68(292-140(114(98)259-5)206-31-20-81(169)189-158(206)232)46-278-328(251,343)313-106-74(298-148(122(106)267-13)214-57-181-89-126(172)177-55-179-128(89)214)51-282-324(247,339)306-99-66(290-141(115(99)260-6)207-32-21-82(170)190-159(207)233)44-275-322(245,337)309-103-72(296-145(119(103)264-10)211-36-25-86(222)194-163(211)237)49-280-330(253,345)315-108-76(300-150(124(108)269-15)217-60-184-92-131(217)198-153(175)201-134(92)227)53-284-326(249,341)311-101-69(293-143(117(101)262-8)209-34-23-84(220)192-161(209)235)41-272-318(241,333)302-95-62(39-219)286-137(111(95)256-2)203-28-17-78(166)186-155(203)229/h17-38,55-77,94-125,136-151,219,225H,39-54H2,1-16H3,(H,240,332)(H,241,333)(H,242,334)(H,243,335)(H,244,336)(H,245,337)(H,246,338)(H,247,339)(H,248,340)(H,249,341)(H,250,342)(H,251,343)(H,252,344)(H,253,345)(H,254,346)(H2,166,186,229)(H2,167,187,230)(H2,168,188,231)(H2,169,189,232)(H2,170,190,233)(H2,171,191,234)(H2,172,177,179)(H2,173,178,180)(H,192,220,235)(H,193,221,236)(H,194,222,237)(H,195,223,238)(H,196,224,239)(H3,174,197,200,226)(H3,175,198,201,227)(H3,176,199,202,228)

InChIKey

MHEFNKUJOSBRAE-UHFFFAOYSA-N

Compound name

1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[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-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

Related CIDs

• CID 16186189