Dbm-2178

Structural Information

Molecular Formula

C₂₄₇H₂₉₄N₈₁O₉₃P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3C(N(CC(C3OC)N4C=NC5=C(N=CN=C54)N)C(C6=CC=CC=C6)C7=CC=CC=C7)COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=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)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)O)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)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=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C247H294N81O93P19S19/c1-116-70-313(244(342)302-227(116)330)169-55-136(329)151(389-169)82-375-437(362,456)418-204-132(309(196(120-33-17-9-18-34-120)121-35-19-10-20-36-121)74-128(200(204)366-5)317-104-277-184-208(251)263-97-270-215(184)317)78-372-424(349,443)405-140-59-173(314-71-117(2)228(331)303-245(314)343)393-155(140)85-377-427(352,446)408-138-57-171(307-53-50-167(249)290-242(307)340)391-153(138)84-376-430(355,449)414-147-66-180(325-112-285-192-223(325)293-237(259)298-232(192)335)400-162(147)92-383-429(354,448)410-142-61-175(316-73-119(4)230(333)305-247(316)345)395-157(142)87-378-428(353,447)409-139-58-172(308-54-51-168(250)291-243(308)341)392-154(139)94-386-438(363,457)419-205-135(312(199(126-45-29-15-30-46-126)127-47-31-16-32-48-127)77-129(201(205)367-6)318-105-278-185-209(252)264-98-271-216(185)318)81-374-426(351,445)407-146-65-179(324-111-284-191-222(324)292-236(258)297-231(191)334)399-161(146)91-384-436(361,455)415-148-67-181(326-113-286-193-224(326)294-238(260)299-233(193)336)401-163(148)93-385-433(358,452)413-145-64-178(323-110-283-190-214(257)269-103-276-221(190)323)398-160(145)90-382-435(360,454)417-150-69-183(328-115-288-195-226(328)296-240(262)301-235(195)338)403-165(150)96-388-440(365,459)421-207-134(311(198(124-41-25-13-26-42-124)125-43-27-14-28-44-125)76-131(203(207)369-8)320-107-280-187-211(254)266-100-273-218(187)320)80-373-425(350,444)406-141-60-174(315-72-118(3)229(332)304-246(315)344)394-156(141)86-379-431(356,450)411-143-62-176(321-108-281-188-212(255)267-101-274-219(188)321)396-158(143)88-380-432(357,451)412-144-63-177(322-109-282-189-213(256)268-102-275-220(189)322)397-159(144)89-381-434(359,453)416-149-68-182(327-114-287-194-225(327)295-239(261)300-234(194)337)402-164(149)95-387-439(364,458)420-206-133(79-371-423(348,442)404-137-56-170(306-52-49-166(248)289-241(306)339)390-152(137)83-370-422(346,347)441)310(197(122-37-21-11-22-38-122)123-39-23-12-24-40-123)75-130(202(206)368-7)319-106-279-186-210(253)265-99-272-217(186)319/h9-54,70-73,97-115,128-165,169-183,196-207,329H,55-69,74-96H2,1-8H3,(H,348,442)(H,349,443)(H,350,444)(H,351,445)(H,352,446)(H,353,447)(H,354,448)(H,355,449)(H,356,450)(H,357,451)(H,358,452)(H,359,453)(H,360,454)(H,361,455)(H,362,456)(H,363,457)(H,364,458)(H,365,459)(H2,248,289,339)(H2,249,290,340)(H2,250,291,341)(H2,251,263,270)(H2,252,264,271)(H2,253,265,272)(H2,254,266,273)(H2,255,267,274)(H2,256,268,275)(H2,257,269,276)(H,302,330,342)(H,303,331,343)(H,304,332,344)(H,305,333,345)(H2,346,347,441)(H3,258,292,297,334)(H3,259,293,298,335)(H3,260,294,299,336)(H3,261,295,300,337)(H3,262,296,301,338)

InChIKey

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

Related CIDs

• CID 16207218