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(R,S)-N-BENZYL-2-ACETAMIDO-6-(3-ETHYLTHIOUREIDO)-HEXANAMIDE
SpectraBase Compound ID JLysF7iQTKk
InChI InChI=1S/C18H28N4O2S/c1-3-19-18(25)20-12-8-7-11-16(22-14(2)23)17(24)21-13-15-9-5-4-6-10-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,21,24)(H,22,23)(H2,19,20,25)
InChIKey MROUYFPXDNGIJZ-UHFFFAOYSA-N
Mol Weight 364.51 g/mol
Molecular Formula C18H28N4O2S
Exact Mass 364.193297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfTsxN5MRiU
Name (R,S)-N-BENZYL-2-ACETAMIDO-6-(3-ETHYLTHIOUREIDO)-HEXANAMIDE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N4O2S
InChI InChI=1S/C18H28N4O2S/c1-3-19-18(25)20-12-8-7-11-16(22-14(2)23)17(24)21-13-15-9-5-4-6-10-15/h4-6,9-10,16H,3,7-8,11-13H2,1-2H3,(H,21,24)(H,22,23)(H2,19,20,25)
InChIKey MROUYFPXDNGIJZ-UHFFFAOYSA-N
Literature Reference Author A.L.TIRAN,J.P.STABLES,H.KOHN
Literature Reference Citation J.MED.CHEM.,45,4762(2002)
Literature Reference DOI 10.1021/jm020225f
Molecular Weight 364.506 g/mol
Sample ID 65141
Solvent CD3OD