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Dimethyl N-{4-[2-(2,4-Diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
SpectraBase Compound ID JXOlQum7UOz
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
Mol Weight 471.53 g/mol
Molecular Formula C22H25N5O5S
Exact Mass 471.15764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgsqFKCRmlo
Name Dimethyl N-{4-[2-(2,4-Diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
Alternate Name(s) Dimethyl (2S)-2-({4-[2-(2,4-diaminothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate
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
Wiley ID 757802