[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-[3-[2-[2-[3-[5-[(4R)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]phosphonamidic acid

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-[3-[2-[2-[3-[5-[(4R)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]phosphonamidic acid Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-N-[3-[2-[2-[3-[5-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]phosphonamidic acid CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-N-[3-[2-[2-[3-[[1-oxo-5-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentyl]amino]propoxy]ethoxy]ethoxy]propyl]phosphonamidic acid IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[3-[2-[2-[3-[5-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]phosphonamidic acid Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-N-[3-[2-[2-[3-[5-[(4R)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]phosphonamidic acid Formula: C30H50N9O11PS MolecularWeight: 775.810461

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCCCOCCOCCOCCCNP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2

Isomeric SMILES

C1C2C([C@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)NC(=O)N2

InChI

InChI=1S/C30H50N9O11PS/c31-27-24-28(34-17-33-27)39(18-35-24)29-26(42)25(41)20(50-29)15-49-51(44,45)36-8-4-10-47-12-14-48-13-11-46-9-3-7-32-22(40)6-2-1-5-21-23-19(16-52-21)37-30(43)38-23/h17-21,23,25-26,29,41-42H,1-16H2,(H,32,40)(H2,31,33,34)(H2,36,44,45)(H2,37,38,43)/t19?,20-,21-,23?,25-,26-,29-/m1/s1