Dbm-2177

Structural Information

Molecular Formula

C₂₄₀H₂₈₇N₇₄O₈₉P₁₇S₁₇

SMILES

C/C=N\C1=C(N=CN1C2CN(C(C(C2OC)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=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=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=C(C(=O)NC1=O)C)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(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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S)CO)C(C1=CC=CC=C1)C1=CC=CC=C1)C(=C)N

InChI

InChI=1S/C240H287N74O89P17S17/c1-12-254-206-179(118(7)241)263-102-304(206)127-76-295(190(119-37-21-13-22-38-119)120-39-23-14-24-40-120)131(80-315)198(194(127)352-8)400-417(348,434)369-94-156-142(64-172(380-156)303-75-117(6)221(321)292-240(303)334)394-410(341,427)364-90-155-141(63-171(379-155)302-74-116(5)220(320)291-239(302)333)393-411(342,428)366-91-157-144(66-174(382-157)310-108-269-185-212(310)277-229(249)283-223(185)323)389-406(337,423)358-83-134-201(197(355-11)130(307-105-266-182-204(246)257-100-261-209(182)307)79-298(134)193(125-49-33-19-34-50-125)126-51-35-20-36-52-126)403-420(351,437)372-97-162-148(70-178(386-162)314-112-273-189-216(314)281-233(253)287-227(189)327)399-416(347,433)368-93-159-146(68-176(384-159)312-110-271-187-214(312)279-231(251)285-225(187)325)397-413(344,430)361-86-151-137(59-167(375-151)294-56-54-164(243)275-235(294)329)390-408(339,425)362-89-154-140(62-170(378-154)301-73-115(4)219(319)290-238(301)332)392-409(340,426)363-87-152-138(60-168(376-152)299-71-113(2)217(317)288-236(299)330)388-405(336,422)357-82-133-200(196(354-10)129(306-104-265-181-203(245)256-99-260-208(181)306)78-297(133)192(123-45-29-17-30-46-123)124-47-31-18-32-48-124)401-418(349,435)370-95-160-143(65-173(381-160)308-106-267-183-205(247)258-101-262-210(183)308)395-415(346,432)367-92-158-145(67-175(383-158)311-109-270-186-213(311)278-230(250)284-224(186)324)396-412(343,429)360-85-150-136(58-166(374-150)293-55-53-163(242)274-234(293)328)387-404(335,421)356-81-132-199(195(353-9)128(305-103-264-180-202(244)255-98-259-207(180)305)77-296(132)191(121-41-25-15-26-42-121)122-43-27-16-28-44-122)402-419(350,436)371-96-161-147(69-177(385-161)313-111-272-188-215(313)280-232(252)286-226(188)326)398-414(345,431)365-88-153-139(61-169(377-153)300-72-114(3)218(318)289-237(300)331)391-407(338,424)359-84-149-135(316)57-165(373-149)309-107-268-184-211(309)276-228(248)282-222(184)322/h12-56,71-75,98-112,127-162,165-178,190-201,315-316H,7,57-70,76-97,241H2,1-6,8-11H3,(H,335,421)(H,336,422)(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)(H2,242,274,328)(H2,243,275,329)(H2,244,255,259)(H2,245,256,260)(H2,246,257,261)(H2,247,258,262)(H,288,317,330)(H,289,318,331)(H,290,319,332)(H,291,320,333)(H,292,321,334)(H3,248,276,282,322)(H3,249,277,283,323)(H3,250,278,284,324)(H3,251,279,285,325)(H3,252,280,286,326)(H3,253,281,287,327)/b254-12-

InChIKey

NHDWJRWVEQDGCF-ZKHVXTJDSA-N

Compound name

1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-[4-(1-aminoethenyl)-5-[(Z)-ethylideneamino]imidazol-1-yl]-1-benzhydryl-2-(hydroxymethyl)-4-methoxypiperidin-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)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]-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-[[5-(2-amino-6-oxo-1H-purin-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-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]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 16207217