2-[[4-[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxypropanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[4-[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxypropanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[4-[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2,4-dioxo-pyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxypropanoylamino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[4-[[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxo-10-pyrimido[4,5-b]quinolinyl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-[[5-[7-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2,4-dioxopyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl]oxypropanoylamino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-[[5-[7-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxy-2,4-diketo-pyrimido[4,5-b]quinolin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl]oxypropanoylamino]-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C39H48N10O24P2 MolecularWeight: 1102.798542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=C(C=C(C=C2)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=C6C1=NC(=O)NC6=O)O)O)O

Isomeric SMILES

CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=C(C=C(C=C2)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C=C6C1=NC(=O)NC6=O)O)O)O

InChI

InChI=1S/C39H48N10O24P2/c1-15(34(58)45-20(38(62)63)3-6-25(52)44-19(37(60)61)4-7-26(53)54)72-74(65,66)69-11-23(51)28(55)22(50)10-48-21-5-2-17(8-16(21)9-18-32(48)46-39(64)47-35(18)59)73-75(67,68)70-12-24-29(56)30(57)36(71-24)49-14-43-27-31(40)41-13-42-33(27)49/h2,5,8-9,13-15,19-20,22-24,28-30,36,50-51,55-57H,3-4,6-7,10-12H2,1H3,(H,44,52)(H,45,58)(H,53,54)(H,60,61)(H,62,63)(H,65,66)(H,67,68)(H2,40,41,42)(H,47,59,64)