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(2S-(R*,R*))-N-(3-(5-CHLORO-2-THIENYL)-2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-1-OXOPROPYL)-HISTIDINE_METHYLESTER
SpectraBase Compound ID EUNrDYnSjsK
InChI InChI=1S/C19H25ClN4O5S/c1-19(2,3)29-18(27)24-13(8-12-5-6-15(20)30-12)16(25)23-14(17(26)28-4)7-11-9-21-10-22-11/h5-6,9-10,13-14H,7-8H2,1-4H3,(H,21,22)(H,23,25)(H,24,27)
InChIKey QDIIBPAXSKSBDV-UHFFFAOYSA-N
Mol Weight 456.95 g/mol
Molecular Formula C19H25ClN4O5S
Exact Mass 456.123419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66t4m8qkgF
Name (2S-(R*,R*))-N-(3-(5-CHLORO-2-THIENYL)-2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-1-OXOPROPYL)-HISTIDINE_METHYLESTER
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25ClN4O5S
InChI InChI=1S/C19H25ClN4O5S/c1-19(2,3)29-18(27)24-13(8-12-5-6-15(20)30-12)16(25)23-14(17(26)28-4)7-11-9-21-10-22-11/h5-6,9-10,13-14H,7-8H2,1-4H3,(H,21,22)(H,23,25)(H,24,27)
InChIKey QDIIBPAXSKSBDV-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 456.944 g/mol
Solvent DMSO-D6
Source File Reference UWMZ719