(2R)-N-[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[8-oxidanylidene-6-[2-[2-[2-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-7H-purin-9-yl]oxolan-2-yl]methoxy-ethoxy-phosphoryl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[8-oxidanylidene-6-[2-[2-[2-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-7H-purin-9-yl]oxolan-2-yl]methoxy-ethoxy-phosphoryl]pyrrolidine-2-carboxamide Openeye Name: (2R)-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[8-oxo-6-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-7H-purin-9-yl]tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]pyrrolidine-2-carboxamide CAS Name: (2R)-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[8-oxo-6-[[oxo-[2-[2-[2-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]ethoxy]ethoxy]ethylamino]methyl]amino]-7H-purin-9-yl]-2-oxolanyl]methoxy-ethoxyphosphoryl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[8-oxo-6-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-7H-purin-9-yl]oxolan-2-yl]methoxy-ethoxyphosphoryl]pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[8-keto-6-[2-[2-[2-[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-7H-purin-9-yl]tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]pyrrolidine-2-carboxamide Formula: C34H54N11O13PS MolecularWeight: 887.897221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC(=O)C1CCCN1)OCC2C(C(C(O2)N3C4=C(C(=NC=N4)NC(=O)NCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)NC3=O)O)O

Isomeric SMILES

CCOP(=O)(NC(=O)[C@H]1CCCN1)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)NC(=O)NCCOCCOCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)NC3=O)O)O

InChI

InChI=1S/C34H54N11O13PS/c1-2-56-59(53,44-30(49)19-6-5-9-35-19)57-16-21-26(47)27(48)31(58-21)45-29-25(42-34(45)52)28(38-18-39-29)43-32(50)37-11-13-55-15-14-54-12-10-36-23(46)8-4-3-7-22-24-20(17-60-22)40-33(51)41-24/h18-22,24,26-27,31,35,47-48H,2-17H2,1H3,(H,36,46)(H,42,52)(H2,40,41,51)(H,44,49,53)(H2,37,38,39,43,50)/t19-,20?,21-,22?,24?,26-,27-,31-,59?/m1/s1