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(2S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-1-OX-3-(3-THIENYL)-PROPYL)-HISTIDINE_METHYLESTER
SpectraBase Compound ID GpgmpARAYRo
InChI InChI=1S/C19H26N4O5S/c1-19(2,3)28-18(26)23-14(7-12-5-6-29-10-12)16(24)22-15(17(25)27-4)8-13-9-20-11-21-13/h5-6,9-11,14-15H,7-8H2,1-4H3,(H,20,21)(H,22,24)(H,23,26)
InChIKey XUTOQKDMVGPHMJ-UHFFFAOYSA-N
Mol Weight 422.5 g/mol
Molecular Formula C19H26N4O5S
Exact Mass 422.162391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLuL3L2LnMS
Name (2S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-1-OX-3-(3-THIENYL)-PROPYL)-HISTIDINE_METHYLESTER
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26N4O5S
InChI InChI=1S/C19H26N4O5S/c1-19(2,3)28-18(26)23-14(7-12-5-6-29-10-12)16(24)22-15(17(25)27-4)8-13-9-20-11-21-13/h5-6,9-11,14-15H,7-8H2,1-4H3,(H,20,21)(H,22,24)(H,23,26)
InChIKey XUTOQKDMVGPHMJ-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 422.499 g/mol
Solvent CDCl3
Source File Reference UWMZ718