Dbm-2172

Structural Information

Molecular Formula

C₂₂₁H₂₆₆N₇₃O₈₆P₁₇S₁₇

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(=O)(OC8C(N(CC(C8OC)N9C=NC1=C(N=CN=C19)N)C(C1=CC=CC=C1)C1=CC=CC=C1)CO)S)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C221H266N73O86P17S17/c1-103-61-281(218(308)270-204(103)297)158-51-124(139(354-158)76-339-384(315,401)367-123-50-157(277-45-41-152(225)263-217(277)307)353-138(123)75-338-390(321,407)375-131-58-165(292-100-257-175-201(292)264-211(233)267-208(175)301)361-146(131)82-345-388(319,405)370-125-52-159(282-62-104(2)205(298)271-219(282)309)355-140(125)77-340-383(314,400)366-122-49-156(276-44-40-151(224)262-216(276)306)352-137(122)74-336-386(317,403)371-127-54-161(284-64-106(4)207(300)273-221(284)311)357-142(127)84-347-396(327,413)378-184-116(68-295)278(178(107-26-14-8-15-27-107)108-28-16-9-17-29-108)65-113(181(184)329-5)285-93-250-168-187(226)236-86-243-194(168)285)368-385(316,402)335-72-135-120(47-154(350-135)274-42-38-149(222)260-214(274)304)364-382(313,399)333-70-118-186(183(331-7)115(287-95-252-170-189(228)238-88-245-196(170)287)67-280(118)180(111-34-22-12-23-35-111)112-36-24-13-25-37-112)380-397(328,414)348-85-148-133(60-167(363-148)294-102-259-177-203(294)266-213(235)269-210(177)303)377-394(325,411)344-81-145-130(57-164(360-145)291-99-256-174-193(232)242-92-249-200(174)291)374-392(323,409)346-83-147-132(59-166(362-147)293-101-258-176-202(293)265-212(234)268-209(176)302)376-393(324,410)343-80-144-129(56-163(359-144)290-98-255-173-192(231)241-91-248-199(173)290)373-391(322,408)341-78-141-126(53-160(356-141)283-63-105(3)206(299)272-220(283)310)369-387(318,404)342-79-143-128(55-162(358-143)289-97-254-172-191(230)240-90-247-198(172)289)372-389(320,406)337-73-136-121(48-155(351-136)275-43-39-150(223)261-215(275)305)365-381(312,398)332-69-117-185(379-395(326,412)334-71-134-119(296)46-153(349-134)288-96-253-171-190(229)239-89-246-197(171)288)182(330-6)114(286-94-251-169-188(227)237-87-244-195(169)286)66-279(117)179(109-30-18-10-19-31-109)110-32-20-11-21-33-110/h8-45,61-64,86-102,113-148,153-167,178-186,295-296H,46-60,65-85H2,1-7H3,(H,312,398)(H,313,399)(H,314,400)(H,315,401)(H,316,402)(H,317,403)(H,318,404)(H,319,405)(H,320,406)(H,321,407)(H,322,408)(H,323,409)(H,324,410)(H,325,411)(H,326,412)(H,327,413)(H,328,414)(H2,222,260,304)(H2,223,261,305)(H2,224,262,306)(H2,225,263,307)(H2,226,236,243)(H2,227,237,244)(H2,228,238,245)(H2,229,239,246)(H2,230,240,247)(H2,231,241,248)(H2,232,242,249)(H,270,297,308)(H,271,298,309)(H,272,299,310)(H,273,300,311)(H3,233,264,267,301)(H3,234,265,268,302)(H3,235,266,269,303)

InChIKey

FODDYEXVOCCKKO-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207212