Dbm-2134

Structural Information

Molecular Formula

C₂₁₈H₂₆₅N₇₀O₈₈P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=O)(OC5C(N(CC(C5OC)N6C=NC7=C(N=CN=C76)N)C(C8=CC=CC=C8)C9=CC=CC=C9)COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)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(=S)(O)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C218H265N70O88P17S17/c1-102-66-278(216(305)265-198(102)291)161-58-124(366-379(310,396)330-75-132-117(290)51-154(345-132)268-44-37-147(219)250-209(268)298)139(352-161)82-339-388(319,405)369-127-61-164(284-97-245-172-189(229)237-93-241-193(172)284)355-142(127)85-340-389(320,406)372-130-64-167(287-100-248-175-196(287)259-207(232)263-203(175)296)358-145(130)88-343-392(323,409)375-185-116(277(179(109-33-21-11-22-34-109)110-35-23-12-24-36-110)71-113(182(185)327-6)283-96-244-171-188(228)236-92-240-192(171)283)74-329-378(309,395)361-119-53-156(270-46-39-149(221)252-211(270)300)347-134(119)77-333-384(315,401)367-125-59-162(279-67-103(2)199(292)266-217(279)306)353-140(125)83-337-382(313,399)364-122-56-159(273-49-42-152(224)255-214(273)303)350-137(122)80-335-386(317,403)370-128-62-165(285-98-246-173-194(285)257-205(230)261-201(173)294)356-143(128)86-341-390(321,407)373-131-65-168(288-101-249-176-197(288)260-208(233)264-204(176)297)359-146(131)89-344-393(324,410)376-184-115(276(178(107-29-17-9-18-30-107)108-31-19-10-20-32-108)70-112(181(184)326-5)282-95-243-170-187(227)235-91-239-191(170)282)73-328-377(308,394)360-118-52-155(269-45-38-148(220)251-210(269)299)346-133(118)76-331-380(311,397)362-120-54-157(271-47-40-150(222)253-212(271)301)348-135(120)78-332-381(312,398)363-121-55-158(272-48-41-151(223)254-213(272)302)349-136(121)79-334-385(316,402)368-126-60-163(280-68-104(3)200(293)267-218(280)307)354-141(126)84-338-383(314,400)365-123-57-160(274-50-43-153(225)256-215(274)304)351-138(123)81-336-387(318,404)371-129-63-166(286-99-247-174-195(286)258-206(231)262-202(174)295)357-144(129)87-342-391(322,408)374-183-114(72-289)275(177(105-25-13-7-14-26-105)106-27-15-8-16-28-106)69-111(180(183)325-4)281-94-242-169-186(226)234-90-238-190(169)281/h7-50,66-68,90-101,111-146,154-168,177-185,289-290H,51-65,69-89H2,1-6H3,(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)(H,324,410)(H2,219,250,298)(H2,220,251,299)(H2,221,252,300)(H2,222,253,301)(H2,223,254,302)(H2,224,255,303)(H2,225,256,304)(H2,226,234,238)(H2,227,235,239)(H2,228,236,240)(H2,229,237,241)(H,265,291,305)(H,266,292,306)(H,267,293,307)(H3,230,257,261,294)(H3,231,258,262,295)(H3,232,259,263,296)(H3,233,260,264,297)

InChIKey

HODVVNVWTJJZQD-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207209