Dbm-2196

Structural Information

Molecular Formula

C₂₅₁H₃₀₄N₇₇O₉₈P₁₉S₁₉

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)CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)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=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=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(=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=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(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C251H304N77O98P19S19/c1-121-82-318(249(347)302-229(121)331)191-76-150(166(402-191)103-386-433(356,452)414-147-73-188(311-63-54-178(258)291-246(311)344)399-163(147)100-383-439(362,458)420-153-79-194(326-118-282-202-226(326)295-237(266)299-233(202)335)405-169(153)106-389-443(366,462)423-213-136(89-329)314(205(124-32-16-8-17-33-124)125-34-18-9-19-35-125)85-132(209(213)369-4)321-113-277-197-217(261)269-109-273-221(197)321)417-437(360,456)381-98-161-145(71-186(397-161)309-61-52-176(256)289-244(309)342)412-431(354,450)378-95-158-142(68-183(394-158)306-58-49-173(253)286-241(306)339)409-428(351,447)374-91-138-215(211(371-6)134(323-115-279-199-219(263)271-111-275-223(199)323)87-316(138)207(128-40-24-12-25-41-128)129-42-26-13-27-43-129)425-445(368,464)391-108-171-155(81-196(407-171)328-120-284-204-228(328)297-239(268)301-235(204)337)422-441(364,460)385-102-165-149(75-190(401-165)313-65-56-180(260)293-248(313)346)416-435(358,454)388-105-168-152(78-193(404-168)320-84-123(3)231(333)304-251(320)349)419-438(361,457)382-99-162-146(72-187(398-162)310-62-53-177(257)290-245(310)343)413-432(355,451)379-96-159-143(69-184(395-159)307-59-50-174(254)287-242(307)340)410-429(352,448)375-92-139-216(212(372-7)135(324-116-280-200-220(264)272-112-276-224(200)324)88-317(139)208(130-44-28-14-29-45-130)131-46-30-15-31-47-131)426-444(367,463)390-107-170-154(80-195(406-170)327-119-283-203-227(327)296-238(267)300-234(203)336)421-440(363,459)384-101-164-148(74-189(400-164)312-64-55-179(259)292-247(312)345)415-434(357,453)387-104-167-151(77-192(403-167)319-83-122(2)230(332)303-250(319)348)418-436(359,455)380-97-160-144(70-185(396-160)308-60-51-175(255)288-243(308)341)411-430(353,449)377-94-157-141(67-182(393-157)305-57-48-172(252)285-240(305)338)408-427(350,446)373-90-137-214(424-442(365,461)376-93-156-140(330)66-181(392-156)325-117-281-201-225(325)294-236(265)298-232(201)334)210(370-5)133(322-114-278-198-218(262)270-110-274-222(198)322)86-315(137)206(126-36-20-10-21-37-126)127-38-22-11-23-39-127/h8-65,82-84,109-120,132-171,181-196,205-216,329-330H,66-81,85-108H2,1-7H3,(H,350,446)(H,351,447)(H,352,448)(H,353,449)(H,354,450)(H,355,451)(H,356,452)(H,357,453)(H,358,454)(H,359,455)(H,360,456)(H,361,457)(H,362,458)(H,363,459)(H,364,460)(H,365,461)(H,366,462)(H,367,463)(H,368,464)(H2,252,285,338)(H2,253,286,339)(H2,254,287,340)(H2,255,288,341)(H2,256,289,342)(H2,257,290,343)(H2,258,291,344)(H2,259,292,345)(H2,260,293,346)(H2,261,269,273)(H2,262,270,274)(H2,263,271,275)(H2,264,272,276)(H,302,331,347)(H,303,332,348)(H,304,333,349)(H3,265,294,298,334)(H3,266,295,299,335)(H3,267,296,300,336)(H3,268,297,301,337)

InChIKey

XNSCDGKXCYWMAK-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16207223