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(2S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3-(5-METHYL-2-THIENYL)-1-OXOPROPYL)-HISTIDINE_METHYLESTER
SpectraBase Compound ID FmNi2IxjEFa
InChI InChI=1S/C20H28N4O5S/c1-12-6-7-14(30-12)9-15(24-19(27)29-20(2,3)4)17(25)23-16(18(26)28-5)8-13-10-21-11-22-13/h6-7,10-11,15-16H,8-9H2,1-5H3,(H,21,22)(H,23,25)(H,24,27)
InChIKey BPHVNZSWFVDEOC-UHFFFAOYSA-N
Mol Weight 436.53 g/mol
Molecular Formula C20H28N4O5S
Exact Mass 436.178041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31hxUKlqzgx
Name (2S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3-(5-METHYL-2-THIENYL)-1-OXOPROPYL)-HISTIDINE_METHYLESTER
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N4O5S
InChI InChI=1S/C20H28N4O5S/c1-12-6-7-14(30-12)9-15(24-19(27)29-20(2,3)4)17(25)23-16(18(26)28-5)8-13-10-21-11-22-13/h6-7,10-11,15-16H,8-9H2,1-5H3,(H,21,22)(H,23,25)(H,24,27)
InChIKey BPHVNZSWFVDEOC-UHFFFAOYSA-N
Literature Reference Author C.R.NOE,A.WEIGAND,S.PIRKER
Literature Reference Citation MH.CHEM.,127,1081(1996)
Literature Reference DOI 10.1007/BF00807581
Molecular Weight 436.526 g/mol
Solvent CDCl3
Source File Reference UWMZ717