| SpectraBase Spectrum ID |
KqqXTSCLCr4 |
| Name |
Dimethyl N-{4-[2-(2,4-diamino-7H-pyrazolo[3,4-d]pyrimidin5-yl)ethynyl]benzoyl}-L-glutamate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25N7O5 |
| InChI |
InChI=1S/C21H25N7O5/c1-32-15(29)10-9-14(20(31)33-2)24-19(30)12-6-3-11(4-7-12)5-8-13-16-17(22)25-21(23)26-18(16)28-27-13/h3-4,6-7,14H,5,8-10H2,1-2H3,(H,24,30)(H5,22,23,25,26,27,28)/t14-/m0/s1 |
| InChIKey |
REKYLAQGKYTQEH-AWEZNQCLSA-N |
| Molecular Weight |
455.475 g/mol |
| SMILES |
Nc1nc2c(c(n1)N)c(CCc1ccc(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)cc1)n[nH]2 |
| SPLASH |
splash10-0002-9650200000-c7955da1ce8a5b056b9d |
| Source of Spectrum |
F-48-8097-22 |
| Synonyms |
(S)-2-{4-[2-(4,6-Diamino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-ethyl]-benzoylamino}-pentanedioic acid dimethyl ester |
| Wiley ID |
1388995 |
![Dimethyl N-{4-[2-(2,4-diamino-7H-pyrazolo[3,4-d]pyrimidin5-yl)ethynyl]benzoyl}-L-glutamate](/api/spectrum/KqqXTSCLCr4/structure.png?h=300&w=458 "Dimethyl N-{4-[2-(2,4-diamino-7H-pyrazolo[3,4-d]pyrimidin5-yl)ethynyl]benzoyl}-L-glutamate")
