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Substance Name: Agr 540
RN: 104124-23-4
InChIKey: YDAFJDAEPUHFIH-HYYMDVBZSA-N

Note

  • Prodrug of Agr 529.

Molecular Weight

  • 520.5398
 
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Names and Synonyms

Name of Substance

  • Agr 540

Synonyms

  • (Carboxamido-3-propylamino)-6-(tripropionyl)-2',3',5'-beta-(D-ribosyl)-9-purine
  • Agr-540

Systematic Name

  • Adenosine, N-(4-amino-4-oxobutyl)-, 2',3',5'-tripropanoate

Registry Numbers

CAS Registry Number

  • 104124-23-4

System Generated Number

  • 0104124234

Structure Descriptors

InChI

InChI=1S/C23H32N6O8/c1-4-15(31)34-10-13-19(36-16(32)5-2)20(37-17(33)6-3)23(35-13)29-12-28-18-21(26-11-27-22(18)29)25-9-7-8-14(24)30/h11-13,19-20,23H,4-10H2,1-3H3,(H2,24,30)(H,25,26,27)/t13-,19-,20-,23-/m1/s1

InChIKey

YDAFJDAEPUHFIH-HYYMDVBZSA-N

Smiles

CCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CC)[C@@H]1OC(=O)CC)n2cnc3c(NCCCC(=O)N)ncnc23