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Dimethyl N-{4-[2-(2-Methyl-4-hydroxy thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate

View entire compound with spectra: 1 MS (GC)

Dimethyl N-{4-[2-(2-Methyl-4-hydroxy thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
SpectraBase Compound ID 3c9z0Tg2VRN
InChI InChI=1S/C23H25N3O6S/c1-13-24-21(29)19-16(12-33-22(19)25-13)9-6-14-4-7-15(8-5-14)20(28)26-17(23(30)32-3)10-11-18(27)31-2/h4-5,7-8,12,17H,6,9-11H2,1-3H3,(H,26,28)(H,24,25,29)/t17-/m0/s1
InChIKey STBXNVXQSMESCS-KRWDZBQOSA-N
Mol Weight 471.53 g/mol
Molecular Formula C23H25N3O6S
Exact Mass 471.146407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yoQHRsPf43
Name Dimethyl N-{4-[2-(2-Methyl-4-hydroxy thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O6S
InChI InChI=1S/C23H25N3O6S/c1-13-24-21(29)19-16(12-33-22(19)25-13)9-6-14-4-7-15(8-5-14)20(28)26-17(23(30)32-3)10-11-18(27)31-2/h4-5,7-8,12,17H,6,9-11H2,1-3H3,(H,26,28)(H,24,25,29)/t17-/m0/s1
InChIKey STBXNVXQSMESCS-KRWDZBQOSA-N
Molecular Weight 471.528 g/mol
SMILES Oc1nc(nc2c1c(CCc1ccc(C(N[C@](C(=O)OC)(CCC(=O)OC)[H])=O)cc1)cs2)C
SPLASH splash10-016s-0390200000-54a35c6ac6482a9a3cb4
Source of Spectrum H1-43-361-29
Synonyms Dimethyl (2S)-2-({4-[2-(4-hydroxy-2-methylthieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate Dimethyl N-{4-[2-(2-Methyl-4(3H)-oxothieno[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamate
Wiley ID 757801