Dbm-2240

Structural Information

Molecular Formula

C₂₄₆H₂₉₃N₇₄O₈₅P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4C(N(CC(C4OC)N5C=NC6=C(N=CN=C65)N)C(C7=CC=CC=C7)C8=CC=CC=C8)COP(=S)(O)OC9CC(OC9COP(=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)OC1C(N(CC(C1OC)N1C=NC2=C(N=CN=C21)N)C(C1=CC=CC=C1)C1=CC=CC=C1)CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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(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(=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(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=CC(=NC1=O)N)O)S

InChI

InChI=1S/C246H293N74O85P17S17/c1-125-88-312(246(336)297-230(125)323)190-84-155(397-414(345,431)364-100-160-147(76-182(377-160)299-67-58-173(248)283-238(299)328)389-407(338,424)360-96-143-215(210(357-5)139(316-120-277-197-220(259)267-115-272-225(197)316)91-309(143)204(130-45-25-11-26-46-130)131-47-27-12-28-48-131)404-421(352,438)374-110-166-153(82-188(383-166)305-73-64-179(254)289-244(305)334)395-412(343,429)370-106-170-157(86-192(387-170)319-123-280-200-228(319)292-235(262)295-232(200)325)399-415(346,432)365-101-161-148(77-183(378-161)300-68-59-174(249)284-239(300)329)390-406(337,423)359-95-142-213(402-418(349,435)363-99-159-146(322)75-181(376-159)298-66-57-172(247)282-237(298)327)208(355-3)137(314-118-275-195-218(257)265-113-270-223(195)314)90-308(142)203(128-41-21-9-22-42-128)129-43-23-10-24-44-129)168(385-190)104-368-410(341,427)393-152-81-187(304-72-63-178(253)288-243(304)333)382-165(152)109-373-420(351,437)403-214-144(310(205(132-49-29-13-30-50-132)133-51-31-14-32-52-133)92-138(209(214)356-4)315-119-276-196-219(258)266-114-271-224(196)315)97-361-408(339,425)391-150-79-185(302-70-61-176(251)286-241(302)331)380-163(150)103-367-417(348,434)400-158-87-193(320-124-281-201-229(320)293-236(263)296-233(201)326)388-171(158)107-371-413(344,430)396-154-83-189(306-74-65-180(255)290-245(306)335)384-167(154)111-375-422(353,439)405-216-145(311(206(134-53-33-15-34-54-134)135-55-35-16-36-56-135)93-140(211(216)358-6)317-121-278-198-221(260)268-116-273-226(198)317)98-362-409(340,426)392-149-78-184(301-69-60-175(250)285-240(301)330)379-162(149)102-366-416(347,433)398-156-85-191(318-122-279-199-227(318)291-234(261)294-231(199)324)386-169(156)105-369-411(342,428)394-151-80-186(303-71-62-177(252)287-242(303)332)381-164(151)108-372-419(350,436)401-212-141(94-321)307(202(126-37-17-7-18-38-126)127-39-19-8-20-40-127)89-136(207(212)354-2)313-117-274-194-217(256)264-112-269-222(194)313/h7-74,88,112-124,136-171,181-193,202-216,321-322H,75-87,89-111H2,1-6H3,(H,337,423)(H,338,424)(H,339,425)(H,340,426)(H,341,427)(H,342,428)(H,343,429)(H,344,430)(H,345,431)(H,346,432)(H,347,433)(H,348,434)(H,349,435)(H,350,436)(H,351,437)(H,352,438)(H,353,439)(H2,247,282,327)(H2,248,283,328)(H2,249,284,329)(H2,250,285,330)(H2,251,286,331)(H2,252,287,332)(H2,253,288,333)(H2,254,289,334)(H2,255,290,335)(H2,256,264,269)(H2,257,265,270)(H2,258,266,271)(H2,259,267,272)(H2,260,268,273)(H,297,323,336)(H3,261,291,294,324)(H3,262,292,295,325)(H3,263,293,296,326)

InChIKey

OJLMAYOKBIAWNB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207230