[(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 2-azanylethanoate

Systemtic Name: [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 2-azanylethanoate Openeye Name: [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] 2-aminoacetate CAS Name: 2-aminoacetic acid [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]ethylamino]-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [(2R,3R,4R,5R)-2-[6-[2-[[9-[(2R,3R,4R,5R)-3-acetoxy-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C26H33N11O10 MolecularWeight: 659.60792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1N2C=NC3=C2N=CN=C3NCCNC4=NC=NC5=C4N=CN5C6C(C(C(O6)CO)O)OC(=O)CN)CO)O

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NCCNC4=NC=NC5=C4N=CN5[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)OC(=O)CN)CO)O

InChI

InChI=1S/C26H33N11O10/c1-11(40)44-19-17(42)12(5-38)45-25(19)36-9-34-15-21(30-7-32-23(15)36)28-2-3-29-22-16-24(33-8-31-22)37(10-35-16)26-20(47-14(41)4-27)18(43)13(6-39)46-26/h7-10,12-13,17-20,25-26,38-39,42-43H,2-6,27H2,1H3,(H,28,30,32)(H,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1