Dbm-2173

Structural Information

Molecular Formula

C₂₂₁H₂₇₀N₇₁O₈₉P₁₇S₁₇

SMILES

C/C=C\C(=C/C=C)\C(C1=CC=CC=C1)N2CC(C(C(C2COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9C(N(CC(C9OC)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=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=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=C(C(=O)NC1=O)C)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)O)S)OC)N1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C221H270N71O89P17S17/c1-10-27-106(28-11-2)177(107-29-17-12-18-30-107)278-69-113(285-94-245-169-187(228)237-90-241-191(169)285)181(331-8)184(380-397(328,414)348-86-137-122(53-157(354-137)275-47-42-151(225)256-216(275)307)369-386(317,403)340-79-139-124(55-159(356-139)280-64-102(3)199(295)268-218(280)309)372-390(321,407)337-76-135-120(51-155(352-135)273-45-40-149(223)254-214(273)305)367-385(316,402)339-78-141-127(58-162(358-141)283-67-105(6)202(298)271-221(283)312)374-392(323,409)344-84-145-130(61-165(362-145)290-99-250-174-196(290)260-210(233)265-205(174)301)375-384(315,401)335-74-133-118(294)49-153(350-133)288-97-248-172-194(288)258-208(231)263-203(172)299)116(278)72-333-383(314,400)366-129-60-164(289-98-249-173-195(289)259-209(232)264-204(173)300)361-144(129)83-345-395(326,412)377-131-62-166(291-100-251-175-197(291)261-211(234)266-206(175)302)363-146(131)85-346-394(325,411)376-128-59-163(287-96-247-171-189(230)239-92-243-193(171)287)360-143(128)82-343-388(319,405)368-121-52-156(274-46-41-150(224)255-215(274)306)353-136(121)77-338-391(322,408)373-125-56-160(281-65-103(4)200(296)269-219(281)310)357-140(125)80-341-387(318,404)370-123-54-158(276-48-43-152(226)257-217(276)308)355-138(123)87-349-398(329,415)381-185-117(279(179(110-35-23-15-24-36-110)111-37-25-16-26-38-111)70-114(182(185)332-9)286-95-246-170-188(229)238-91-242-192(170)286)73-334-382(313,399)365-119-50-154(272-44-39-148(222)253-213(272)304)351-134(119)75-336-389(320,406)371-126-57-161(282-66-104(5)201(297)270-220(282)311)359-142(126)81-342-393(324,410)378-132-63-167(292-101-252-176-198(292)262-212(235)267-207(176)303)364-147(132)88-347-396(327,413)379-183-115(71-293)277(178(108-31-19-13-20-32-108)109-33-21-14-22-34-109)68-112(180(183)330-7)284-93-244-168-186(227)236-89-240-190(168)284/h10-48,64-67,89-101,112-147,153-167,177-185,293-294H,1,49-63,68-88H2,2-9H3,(H,313,399)(H,314,400)(H,315,401)(H,316,402)(H,317,403)(H,318,404)(H,319,405)(H,320,406)(H,321,407)(H,322,408)(H,323,409)(H,324,410)(H,325,411)(H,326,412)(H,327,413)(H,328,414)(H,329,415)(H2,222,253,304)(H2,223,254,305)(H2,224,255,306)(H2,225,256,307)(H2,226,257,308)(H2,227,236,240)(H2,228,237,241)(H2,229,238,242)(H2,230,239,243)(H,268,295,309)(H,269,296,310)(H,270,297,311)(H,271,298,312)(H3,231,258,263,299)(H3,232,259,264,300)(H3,233,260,265,301)(H3,234,261,266,302)(H3,235,262,267,303)/b28-11-,106-27+

InChIKey

IYPQJMIKDLNSBH-ZGNXWRCZSA-N

Compound name

1-[4-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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]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-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxy-1-[(2E)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[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-(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]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16207213