SpectraBase Compound ID | DqQ6sa3XmdI |
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InChI | InChI=1S/C22H25N5O6/c1-2-33-21(32)15(9-10-16(28)29)25-19(30)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(31)27-22(23)26-18/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,25,30)(H,28,29)(H4,23,24,26,27,31)/t15-/m0/s1 |
InChIKey | RDFCBNQHUWRWRC-HNNXBMFYSA-N |
Mol Weight | 455.47 g/mol |
Molecular Formula | C22H25N5O6 |
Exact Mass | 455.180484 g/mol |
SpectraBase Spectrum ID | IvwxlIsIzCe |
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Name | (2S)-2-[[4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-1-ETHYLESTER |
Compound Number | 18 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C22H25N5O6 |
InChI | InChI=1S/C22H25N5O6/c1-2-33-21(32)15(9-10-16(28)29)25-19(30)13-6-3-12(4-7-13)5-8-14-11-24-18-17(14)20(31)27-22(23)26-18/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,25,30)(H,28,29)(H4,23,24,26,27,31)/t15-/m0/s1 |
InChIKey | RDFCBNQHUWRWRC-HNNXBMFYSA-N |
Literature Reference Author | O.MICHALAK,M.M.GRUZA,A.WITKOWSKA,I.BUJAK,P.CMOCH |
Literature Reference Citation | MOLECULES,20,10004(2015) |
Literature Reference DOI | 10.3390/molecules200610004 |
Solvent | DMSO-D6 |
Source File Reference | UWPA3200 |