N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-N'-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)hexanediamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-N'-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)hexanediamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-N'-(1-oxoisoindolin-4-yl)hexanediamide; 2,2,2-trifluoroacetic acid CAS Name: N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-N'-(1-oxo-2,3-dihydroisoindol-4-yl)hexanediamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N'-(1-oxo-2,3-dihydroisoindol-4-yl)hexanediamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-N'-(1-ketoisoindolin-4-yl)adipamide; 2,2,2-trifluoroacetic acid Formula: C26H29F3N8O8 MolecularWeight: 638.55247

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NC(=O)CCCCC(=O)NCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)C(=O)N1.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C2=C(C=CC=C2NC(=O)CCCCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)C(=O)N1.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H28N8O6.C2HF3O2/c25-21-18-22(29-10-28-21)32(11-30-18)24-20(36)19(35)15(38-24)9-26-16(33)6-1-2-7-17(34)31-14-5-3-4-12-13(14)8-27-23(12)37;3-2(4,5)1(6)7/h3-5,10-11,15,19-20,24,35-36H,1-2,6-9H2,(H,26,33)(H,27,37)(H,31,34)(H2,25,28,29);(H,6,7)/t15-,19-,20-,24-;/m1./s1