Dbm-2197

Structural Information

Molecular Formula

C₂₇₈H₃₃₂N₈₄O₁₀₃P₂₀S₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(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(=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)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)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=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=CC(=NC1=O)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)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)O

InChI

InChI=1S/C278H332N84O103P20S20/c1-135-90-349(275(381)333-254(135)365)206-82-167(449-469(388,489)413-100-155-235(462-481(400,501)414-104-175-159(364)74-198(430-175)358-130-311-219-249(358)323-263(291)328-258(219)369)230(406-6)150(354-126-307-215-240(287)297-121-302-245(215)354)95-345(155)225(141-44-24-12-25-45-141)142-46-26-13-27-47-142)183(438-206)112-422-470(389,490)450-163-78-202(340-70-63-194(282)319-271(340)377)434-179(163)109-419-478(397,498)458-172-87-211(360-132-313-221-251(360)325-265(293)330-260(221)371)443-188(172)117-427-483(402,503)463-236-156(346(226(143-48-28-14-29-49-143)144-50-30-15-31-51-144)96-151(231(236)407-7)355-127-308-216-241(288)298-122-303-246(216)355)101-410-466(385,486)447-161-76-200(338-68-61-192(280)317-269(338)375)432-177(161)106-416-475(394,495)455-169-84-208(351-92-137(3)256(367)335-277(351)383)440-185(169)114-424-472(391,492)452-165-80-204(342-72-65-196(284)321-273(342)379)436-181(165)111-421-480(399,500)460-174-89-213(362-134-315-223-253(362)327-267(295)332-262(223)373)445-190(174)119-429-485(404,505)465-238-158(348(228(147-56-36-18-37-57-147)148-58-38-19-39-59-148)98-153(233(238)409-9)357-129-310-218-243(290)300-124-305-248(218)357)103-412-468(387,488)448-162-77-201(339-69-62-193(281)318-270(339)376)433-178(162)107-417-476(395,496)456-170-85-209(352-93-138(4)257(368)336-278(352)384)441-186(170)115-425-473(392,493)453-166-81-205(343-73-66-197(285)322-274(343)380)437-182(166)110-420-479(398,499)459-173-88-212(361-133-314-222-252(361)326-266(294)331-261(222)372)444-189(173)118-428-484(403,504)464-237-157(347(227(145-52-32-16-33-53-145)146-54-34-17-35-55-146)97-152(232(237)408-8)356-128-309-217-242(289)299-123-304-247(217)356)102-411-467(386,487)446-160-75-199(337-67-60-191(279)316-268(337)374)431-176(160)105-415-474(393,494)454-168-83-207(350-91-136(2)255(366)334-276(350)382)439-184(168)113-423-471(390,491)451-164-79-203(341-71-64-195(283)320-272(341)378)435-180(164)108-418-477(396,497)457-171-86-210(359-131-312-220-250(359)324-264(292)329-259(220)370)442-187(171)116-426-482(401,502)461-234-154(99-363)344(224(139-40-20-10-21-41-139)140-42-22-11-23-43-140)94-149(229(234)405-5)353-125-306-214-239(286)296-120-301-244(214)353/h10-73,90-93,120-134,149-190,198-213,224-238,363-364H,74-89,94-119H2,1-9H3,(H,385,486)(H,386,487)(H,387,488)(H,388,489)(H,389,490)(H,390,491)(H,391,492)(H,392,493)(H,393,494)(H,394,495)(H,395,496)(H,396,497)(H,397,498)(H,398,499)(H,399,500)(H,400,501)(H,401,502)(H,402,503)(H,403,504)(H,404,505)(H2,279,316,374)(H2,280,317,375)(H2,281,318,376)(H2,282,319,377)(H2,283,320,378)(H2,284,321,379)(H2,285,322,380)(H2,286,296,301)(H2,287,297,302)(H2,288,298,303)(H2,289,299,304)(H2,290,300,305)(H,333,365,381)(H,334,366,382)(H,335,367,383)(H,336,368,384)(H3,291,323,328,369)(H3,292,324,329,370)(H3,293,325,330,371)(H3,294,326,331,372)(H3,295,327,332,373)

InChIKey

NPSKSHNZVRFEKL-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-[[[2-[[[2-[[[2-[[[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-(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-(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-(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-(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-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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 16207224