1-Deoxy-5-O-(5-O-{[(1R)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-1-{4-[(6R,6aS,7S)-3-imino-6,7-dimethyl-1-oxo-1,2,3,4,5,6,6a,7-octahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}- D-ribitol

More details:

• Systematic name

  1-Deoxy-5-O-(5-O-{[(1R)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-1-{4-[(6R,6aS,7S)-3-imino-6,7-dimethyl-1-oxo-1,2,3,4,5,6,6a,7-octahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}- D-ribitol

• SMILES

  C[C@@H]1[C@H]2[C@H](C)NC3=C(N2CN1C1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)C=C1)C(O)=NC(=N)N3 C[C@H]1NC2NC(=N)NC(=O)C=2N2CN([C@@H](C)[C@@H]21)C1C=CC(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]2O)=CC=1

• Std. InChi

  InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17+,18-,19-,20-,22+,24+,25-,26-,30+/m1/s1

• Std. InChIKey

  GBMIGEWJAPFSQI-KXCCJVBOSA-N

• Cite this record

  CSID:74857847, http://www.chemspider.com/Chemical-Structure.74857847.html (accessed 17:04, May 11, 2024)