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TYR-(1-S,2-R)-ACHC-PHE-PARA-F-PHE-NH2

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TYR-(1-S,2-R)-ACHC-PHE-PARA-F-PHE-NH2
SpectraBase Compound ID 4gJncwYme8f
InChI InChI=1S/C34H39FN4O6/c35-24-14-10-22(11-15-24)18-27(36)32(42)38-29(19-21-6-2-1-3-7-21)33(43)37-28-9-5-4-8-26(28)31(41)39-30(34(44)45)20-23-12-16-25(40)17-13-23/h1-3,6-7,10-17,26-30,40H,4-5,8-9,18-20,36H2,(H,37,43)(H,38,42)(H,39,41)(H,44,45)
InChIKey CVCZNQMJMVNECX-UHFFFAOYSA-N
Mol Weight 618.7 g/mol
Molecular Formula C34H39FN4O6
Exact Mass 618.285363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHKRhf9hyQU
Name TYR-(1-S,2-R)-ACHC-PHE-PARA-F-PHE-NH2
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H39FN4O6
InChI InChI=1S/C34H39FN4O6/c35-24-14-10-22(11-15-24)18-27(36)32(42)38-29(19-21-6-2-1-3-7-21)33(43)37-28-9-5-4-8-26(28)31(41)39-30(34(44)45)20-23-12-16-25(40)17-13-23/h1-3,6-7,10-17,26-30,40H,4-5,8-9,18-20,36H2,(H,37,43)(H,38,42)(H,39,41)(H,44,45)
InChIKey CVCZNQMJMVNECX-UHFFFAOYSA-N
Literature Reference Author J.R.MALLAREDDY,A.BORICS,A.KERESZTES,K.E.KOEVER,D.TOURWE,G.TO TH
Literature Reference Citation J.MED.CHEM.,54,1462(2011)
Literature Reference DOI 10.1021/jm101515v
Molecular Weight 618.705 g/mol
Solvent DMSO-D6
Source File Reference UWMZ48170