Dbm-2174

Structural Information

Molecular Formula

C₂₁₉H₂₆₆N₆₉O₈₇P₁₇S₁₇

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)OC6C(N(CC(C6OC)N7C=NC8=C(N=CN=C87)N)C(C9=CC=CC=C9)C1=CC=CC=C1)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)CO)S)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)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=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)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=C(N=CN=C21)N)O

InChI

InChI=1S/C219H266N69O87P17S17/c1-104-65-277(216(303)264-202(104)291)163-57-127(360-377(308,394)328-74-119-187(184(326-7)116(283-98-248-173-190(228)236-92-242-196(173)283)71-276(119)181(112-34-22-12-23-35-112)113-36-24-13-25-37-113)374-391(322,408)342-88-148-132(62-168(356-148)286-101-251-176-193(231)239-95-245-199(176)286)370-389(320,406)340-86-147-133(63-169(357-147)287-102-252-177-200(287)260-208(232)262-206(177)295)371-386(317,403)333-79-140-124(54-160(349-140)271-47-41-153(223)257-213(271)300)363-381(312,398)336-82-143-128(58-164(352-143)278-66-105(2)203(292)265-217(278)304)366-378(309,395)329-75-135-120(290)50-156(344-135)284-99-249-174-191(229)237-93-243-197(174)284)142(351-163)81-335-380(311,397)362-123-53-159(270-46-40-152(222)256-212(270)299)346-137(123)77-330-379(310,396)361-122-52-158(269-45-39-151(221)255-211(269)298)348-139(122)80-334-387(318,404)372-134-64-170(288-103-253-178-201(288)261-209(233)263-207(178)296)358-149(134)89-343-392(323,409)375-186-118(275(180(110-30-18-10-19-31-110)111-32-20-11-21-33-111)70-115(183(186)325-6)282-97-247-172-189(227)235-91-241-195(172)282)73-327-376(307,393)359-121-51-157(268-44-38-150(220)254-210(268)297)345-136(121)76-331-384(315,401)367-130-60-166(280-68-107(4)205(294)267-219(280)306)354-145(130)84-338-388(319,405)369-131-61-167(285-100-250-175-192(230)238-94-244-198(175)285)355-146(131)85-339-383(314,400)364-125-55-161(272-48-42-154(224)258-214(272)301)347-138(125)78-332-385(316,402)368-129-59-165(279-67-106(3)204(293)266-218(279)305)353-144(129)83-337-382(313,399)365-126-56-162(273-49-43-155(225)259-215(273)302)350-141(126)87-341-390(321,407)373-185-117(72-289)274(179(108-26-14-8-15-27-108)109-28-16-9-17-29-109)69-114(182(185)324-5)281-96-246-171-188(226)234-90-240-194(171)281/h8-49,65-68,90-103,114-149,156-170,179-187,289-290H,50-64,69-89H2,1-7H3,(H,307,393)(H,308,394)(H,309,395)(H,310,396)(H,311,397)(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)(H2,220,254,297)(H2,221,255,298)(H2,222,256,299)(H2,223,257,300)(H2,224,258,301)(H2,225,259,302)(H2,226,234,240)(H2,227,235,241)(H2,228,236,242)(H2,229,237,243)(H2,230,238,244)(H2,231,239,245)(H,264,291,303)(H,265,292,304)(H,266,293,305)(H,267,294,306)(H3,232,260,262,295)(H3,233,261,263,296)

InChIKey

WSFGCAPPLKKXAY-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207214