Deltacca (104)

Structural Information

Molecular Formula

C₁₂₅H₁₆₀N₄₆O₆₇P₁₂S₁₂

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7C=CC(=NC7=O)N)N8C=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)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=CC(=NC1=O)N)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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C125H160N46O67P12S12/c1-48-27-164(123(187)156-105(48)174)88-20-57(71(221-88)37-208-245(196,257)233-58-21-89(165-28-49(2)106(175)157-124(165)188)222-72(58)38-209-248(199,260)236-61-24-92(169-45-138-97-102(169)148-115(133)153-110(97)179)224-74(61)40-211-246(197,258)234-59-22-90(166-29-50(3)107(176)158-125(166)189)220-70(59)36-207-242(193,254)230-55-18-86(162-12-7-80(129)144-121(162)185)218-68(55)34-204-241(192,253)229-54-17-85(161-11-6-79(128)143-120(161)184)216-66(54)32-203-240(191,252)227-52-15-83(214-64(52)30-172)159-9-4-77(126)141-118(159)182)232-244(195,256)205-35-69-56(19-87(219-69)163-13-8-81(130)145-122(163)186)231-243(194,255)210-39-73-62(25-93(223-73)170-46-139-98-103(170)149-116(134)154-111(98)180)237-249(200,261)213-42-76-63(26-94(226-76)171-47-140-99-104(171)150-117(135)155-112(99)181)238-250(201,262)212-41-75-60(23-91(225-75)168-44-137-96-101(168)147-114(132)152-109(96)178)235-247(198,259)206-33-67-53(16-84(217-67)160-10-5-78(127)142-119(160)183)228-239(190,251)202-31-65-51(173)14-82(215-65)167-43-136-95-100(167)146-113(131)151-108(95)177/h4-13,27-29,43-47,51-76,82-94,172-173H,14-26,30-42H2,1-3H3,(H,190,251)(H,191,252)(H,192,253)(H,193,254)(H,194,255)(H,195,256)(H,196,257)(H,197,258)(H,198,259)(H,199,260)(H,200,261)(H,201,262)(H2,126,141,182)(H2,127,142,183)(H2,128,143,184)(H2,129,144,185)(H2,130,145,186)(H,156,174,187)(H,157,175,188)(H,158,176,189)(H3,131,146,151,177)(H3,132,147,152,178)(H3,133,148,153,179)(H3,134,149,154,180)(H3,135,150,155,181)

InChIKey

DYOSWYYKAJUVTM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133940