Rm-20 oligonucleotide-cholesterol deriv.

Structural Information

Molecular Formula

C₂₂₂H₂₉₁N₈₁O₁₁₈P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(NCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C222H291N81O118P20/c1-94(2)9-8-10-95(3)101-13-14-102-100-12-11-98-33-99(15-24-221(98,6)103(100)16-25-222(101,102)7)382-171(305)54-264-422(322,323)362-58-125-114(49-166(393-125)299-89-259-178-195(299)272-207(236)277-202(178)308)412-432(342,343)367-63-130-110(40-157(388-130)289-31-22-149(228)270-217(289)318)408-428(334,335)373-68-135-115(44-161(394-135)294-84-254-173-184(231)242-78-248-190(173)294)413-436(350,351)372-67-134-113(43-160(392-134)292-56-97(5)201(307)283-220(292)321)411-431(340,341)366-62-129-109(39-156(387-129)288-30-21-148(227)269-216(288)317)407-427(332,333)374-69-136-116(45-162(395-136)295-85-255-174-185(232)243-79-249-191(174)295)414-437(352,353)377-72-139-119(48-165(398-139)298-88-258-177-188(235)246-82-252-194(177)298)417-440(358,359)379-74-141-121(51-168(400-141)301-91-261-180-197(301)274-209(238)279-204(180)310)420-435(348,349)370-65-132-111(41-158(390-132)290-32-23-150(229)271-218(290)319)409-429(336,337)376-71-138-117(46-163(397-138)296-86-256-175-186(233)244-80-250-192(175)296)415-438(354,355)378-73-140-120(50-167(399-140)300-90-260-179-196(300)273-208(237)278-203(179)309)419-434(346,347)369-64-131-107(37-154(389-131)286-28-19-146(225)267-214(286)315)405-425(328,329)371-66-133-112(42-159(391-133)291-55-96(4)200(306)282-219(291)320)410-430(338,339)365-61-128-106(36-153(386-128)285-27-18-145(224)266-213(285)314)404-424(326,327)364-60-127-108(38-155(385-127)287-29-20-147(226)268-215(287)316)406-426(330,331)375-70-137-118(47-164(396-137)297-87-257-176-187(234)245-81-251-193(176)297)416-439(356,357)380-75-142-123(53-170(401-142)303-93-263-182-199(303)276-211(240)281-206(182)312)421-441(360,361)381-76-143-122(52-169(402-143)302-92-262-181-198(302)275-210(239)280-205(181)311)418-433(344,345)368-59-126-105(35-152(384-126)284-26-17-144(223)265-212(284)313)403-423(324,325)363-57-124-104(304)34-151(383-124)293-83-253-172-183(230)241-77-247-189(172)293/h11,17-23,26-32,55-56,77-95,99-143,151-170,304H,8-10,12-16,24-25,33-54,57-76H2,1-7H3,(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H,358,359)(H,360,361)(H2,223,265,313)(H2,224,266,314)(H2,225,267,315)(H2,226,268,316)(H2,227,269,317)(H2,228,270,318)(H2,229,271,319)(H2,230,241,247)(H2,231,242,248)(H2,232,243,249)(H2,233,244,250)(H2,234,245,251)(H2,235,246,252)(H2,264,322,323)(H,282,306,320)(H,283,307,321)(H3,236,272,277,308)(H3,237,273,278,309)(H3,238,274,279,310)(H3,239,275,280,311)(H3,240,276,281,312)

InChIKey

GQTWXSDNGMSQDL-UHFFFAOYSA-N

Compound name

[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-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-N-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]phosphonamidic acid

Related CIDs

• CID 16130377