Dbm-2176

Structural Information

Molecular Formula

C₂₂₁H₂₇₄N₅₉O₉₃P₁₇S₁₇

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=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)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)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(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=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(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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S)CO)C(C1=CC=CC=C1)C1=CC=CC=C1)C(=C)N

InChI

InChI=1S/C221H274N59O93P17S17/c1-13-233-193-177(113(9)222)238-101-276(193)120-78-266(182(114-32-20-14-21-33-114)115-34-22-15-23-35-115)123(81-281)188(185(120)322-10)371-388(319,405)339-98-153-138(68-174(354-153)275-77-112(8)204(289)259-221(275)304)368-384(315,401)336-93-151-136(66-172(352-151)273-75-110(6)202(287)257-219(273)302)366-382(313,399)334-91-149-134(64-170(350-149)271-73-108(4)200(285)255-217(271)300)364-381(312,398)333-90-150-135(65-171(351-150)272-74-109(5)201(286)256-218(272)301)365-383(314,400)335-92-152-137(67-173(353-152)274-76-111(7)203(288)258-220(274)303)367-385(316,402)337-94-154-140(70-176(355-154)280-105-242-181-197(280)250-208(232)252-206(181)291)370-387(318,404)338-95-155-139(69-175(356-155)279-104-241-180-196(279)249-207(231)251-205(180)290)369-386(317,403)330-87-144-128(58-164(345-144)262-52-46-158(225)245-211(262)294)360-377(308,394)328-86-143-129(59-165(344-143)263-53-47-159(226)246-212(263)295)361-378(309,395)331-88-147-132(62-168(348-147)269-71-106(2)198(283)253-215(269)298)358-375(306,392)326-83-125-190(187(324-12)122(278-103-240-179-192(230)235-100-237-195(179)278)80-268(125)184(118-40-28-18-29-41-118)119-42-30-19-31-43-119)373-390(321,407)341-97-146-131(61-167(347-146)265-55-49-161(228)248-214(265)297)362-379(310,396)332-89-148-133(63-169(349-148)270-72-107(3)199(284)254-216(270)299)363-380(311,397)329-85-142-127(57-163(343-142)261-51-45-157(224)244-210(261)293)357-374(305,391)325-82-124-189(186(323-11)121(277-102-239-178-191(229)234-99-236-194(178)277)79-267(124)183(116-36-24-16-25-37-116)117-38-26-17-27-39-117)372-389(320,406)340-96-145-130(60-166(346-145)264-54-48-160(227)247-213(264)296)359-376(307,393)327-84-141-126(282)56-162(342-141)260-50-44-156(223)243-209(260)292/h13-55,71-77,99-105,120-155,162-176,182-190,281-282H,9,56-70,78-98,222H2,1-8,10-12H3,(H,305,391)(H,306,392)(H,307,393)(H,308,394)(H,309,395)(H,310,396)(H,311,397)(H,312,398)(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)(H2,223,243,292)(H2,224,244,293)(H2,225,245,294)(H2,226,246,295)(H2,227,247,296)(H2,228,248,297)(H2,229,234,236)(H2,230,235,237)(H,253,283,298)(H,254,284,299)(H,255,285,300)(H,256,286,301)(H,257,287,302)(H,258,288,303)(H,259,289,304)(H3,231,249,251,290)(H3,232,250,252,291)/b233-13-

InChIKey

IDTQQVIMAFMZBB-AXZYGCIUSA-N

Compound name

1-[5-[[[2-[[[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-(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-(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-(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-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-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]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16207216