Dbm-2199

Structural Information

Molecular Formula

C₂₉₈H₃₄₆N₉₃O₉₂P₁₉S₁₉

SMILES

COC1C(CN(C(C1OP(=S)(O)OCC2C(CC(O2)N3C=CC(=NC3=O)N)OP(=S)(O)OCC4C(CC(O4)N5C=NC6=C5N=C(NC6=O)N)OP(=S)(O)OCC7C(C(C(CN7C(C8=CC=CC=C8)C9=CC=CC=C9)N1C=NC2=C(N=CN=C21)N)OC)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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(=O)(OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=CC(=NC1=O)N)O)S)CO)C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C298H346N93O92P19S19/c1-426-246-166(379-139-333-226-260(306)319-132-326-267(226)379)105-372(239(152-50-22-8-23-51-152)153-52-24-9-25-53-153)173(112-392)253(246)477-497(420,516)446-126-194-181(93-214(453-194)366-86-79-207(300)347-293(366)401)471-490(413,509)440-120-200-188(100-221(459-200)387-147-341-234-275(387)354-287(314)360-281(234)395)466-485(408,504)434-114-175-255(248(428-3)168(381-141-335-228-262(308)321-134-328-269(228)381)107-374(175)241(156-58-30-12-31-59-156)157-60-32-13-33-61-157)479-499(422,518)448-128-196-183(95-216(455-196)368-88-81-209(302)349-295(368)403)473-492(415,511)442-122-202-190(102-223(461-202)389-149-343-236-277(389)356-289(316)362-283(236)397)468-487(410,506)436-116-177-257(250(430-5)170(383-143-337-230-264(310)323-136-330-271(230)383)109-376(177)243(160-66-38-16-39-67-160)161-68-40-17-41-69-161)481-501(424,520)450-130-198-185(97-218(457-198)370-90-83-211(304)351-297(370)405)475-494(417,513)444-124-204-192(104-225(463-204)391-151-345-238-279(391)358-291(318)364-285(238)399)470-489(412,508)438-118-179-259(252(432-7)172(385-145-339-232-266(312)325-138-332-273(232)385)111-378(179)245(164-74-46-20-47-75-164)165-76-48-21-49-77-165)483-502(425,521)451-131-199-186(98-219(458-199)371-91-84-212(305)352-298(371)406)476-495(418,514)445-125-205-191(103-224(464-205)390-150-344-237-278(390)357-290(317)363-284(237)398)469-488(411,507)437-117-178-258(251(431-6)171(384-144-338-231-265(311)324-137-331-272(231)384)110-377(178)244(162-70-42-18-43-71-162)163-72-44-19-45-73-163)482-500(423,519)449-129-197-184(96-217(456-197)369-89-82-210(303)350-296(369)404)474-493(416,512)443-123-203-189(101-222(462-203)388-148-342-235-276(388)355-288(315)361-282(235)396)467-486(409,505)435-115-176-256(249(429-4)169(382-142-336-229-263(309)322-135-329-270(229)382)108-375(176)242(158-62-34-14-35-63-158)159-64-36-15-37-65-159)480-498(421,517)447-127-195-182(94-215(454-195)367-87-80-208(301)348-294(367)402)472-491(414,510)441-121-201-187(99-220(460-201)386-146-340-233-274(386)353-286(313)359-280(233)394)465-484(407,503)433-113-174-254(478-496(419,515)439-119-193-180(393)92-213(452-193)365-85-78-206(299)346-292(365)400)247(427-2)167(380-140-334-227-261(307)320-133-327-268(227)380)106-373(174)240(154-54-26-10-27-55-154)155-56-28-11-29-57-155/h8-91,132-151,166-205,213-225,239-259,392-393H,92-131H2,1-7H3,(H,407,503)(H,408,504)(H,409,505)(H,410,506)(H,411,507)(H,412,508)(H,413,509)(H,414,510)(H,415,511)(H,416,512)(H,417,513)(H,418,514)(H,419,515)(H,420,516)(H,421,517)(H,422,518)(H,423,519)(H,424,520)(H,425,521)(H2,299,346,400)(H2,300,347,401)(H2,301,348,402)(H2,302,349,403)(H2,303,350,404)(H2,304,351,405)(H2,305,352,406)(H2,306,319,326)(H2,307,320,327)(H2,308,321,328)(H2,309,322,329)(H2,310,323,330)(H2,311,324,331)(H2,312,325,332)(H3,313,353,359,394)(H3,314,354,360,395)(H3,315,355,361,396)(H3,316,356,362,397)(H3,317,357,363,398)(H3,318,358,364,399)

InChIKey

LDFJSTUUHWPZQM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 91868476