SpectraBase Spectrum ID |
DgsqFKCRmlo |
Name |
Dimethyl N-{4-[2-(2,4-Diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H25N5O5S |
InChI |
InChI=1S/C22H25N5O5S/c1-31-16(28)10-9-15(21(30)32-2)25-19(29)13-6-3-12(4-7-13)5-8-14-11-33-20-17(14)18(23)26-22(24)27-20/h3-4,6-7,11,15H,5,8-10H2,1-2H3,(H,25,29)(H4,23,24,26,27)/t15-/m0/s1 |
InChIKey |
XLDVFVHDIHMMNF-HNNXBMFYSA-N |
Molecular Weight |
471.532 g/mol |
SMILES |
Nc1nc(c2c(CCc3ccc(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)cc3)csc2n1)N |
SPLASH |
splash10-004i-0930400000-2499afbea2228b407c3e |
Source of Spectrum |
H1-43-361-28 |
Synonyms |
Dimethyl (2S)-2-({4-[2-(2,4-diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate |
Wiley ID |
757802 |