Dbm-2201

Structural Information

Molecular Formula

C₁₁₁H₁₂₁N₃₂O₃₄P₅

SMILES

COC1C(CN(C(C1OP(=O)(O)OCC2C(CC(O2)N3C=NC4=C3N=C(NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=O)N)OP(=O)(O)OCC1C(C(C(CN1C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C(C1=CC=CC=C1)C1=CC=CC=C1)N1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C111H121N32O34P5/c1-159-65-34-30-63(31-35-65)111(62-28-18-9-19-29-62,64-32-36-66(160-2)37-33-64)163-44-69-93(91(161-3)67(138-52-122-83-95(112)118-50-120-97(83)138)42-136(69)89(58-20-10-5-11-21-58)59-22-12-6-13-23-59)176-182(157,158)168-49-78-74(41-82(172-78)143-57-127-88-102(143)131-110(117)135-106(88)148)175-180(153,154)167-48-77-73(40-81(171-77)142-56-126-87-101(142)130-109(116)134-105(87)147)174-179(151,152)166-47-76-72(39-80(170-76)141-55-125-86-100(141)129-108(115)133-104(86)146)173-178(149,150)164-45-70-94(177-181(155,156)165-46-75-71(144)38-79(169-75)140-54-124-85-99(140)128-107(114)132-103(85)145)92(162-4)68(139-53-123-84-96(113)119-51-121-98(84)139)43-137(70)90(60-24-14-7-15-25-60)61-26-16-8-17-27-61/h5-37,50-57,67-82,89-94,144H,38-49H2,1-4H3,(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H2,112,118,120)(H2,113,119,121)(H3,114,128,132,145)(H3,115,129,133,146)(H3,116,130,134,147)(H3,117,131,135,148)

InChIKey

GCYPFVICCKONPK-UHFFFAOYSA-N

Compound name

[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-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-1-benzhydryl-4-methoxypiperidin-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-1-benzhydryl-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methoxypiperidin-3-yl] hydrogen phosphate

Related CIDs

• CID 16134255