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(S)-2-[(E)-3-((S)-1-BENZYLOXYCARBONYL-2-PHENYL-ETHYLCARBAMOYL)-ACRYLOYL-AMINO]-3-PHENYLPROPIONIC_ACID_BENYLESTER
SpectraBase Compound ID 9jjQrYQVwSt
InChI InChI=1S/C36H34N2O6/c39-33(37-31(23-27-13-5-1-6-14-27)35(41)43-25-29-17-9-3-10-18-29)21-22-34(40)38-32(24-28-15-7-2-8-16-28)36(42)44-26-30-19-11-4-12-20-30/h1-22,31-32H,23-26H2,(H,37,39)(H,38,40)/b22-21+/t31-,32-/m0/s1
InChIKey JPRBZXCFLNKENW-QFDKVFPNSA-N
Mol Weight 590.7 g/mol
Molecular Formula C36H34N2O6
Exact Mass 590.241687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3varYsQOBi8
Name (S)-2-[(E)-3-((S)-1-BENZYLOXYCARBONYL-2-PHENYL-ETHYLCARBAMOYL)-ACRYLOYL-AMINO]-3-PHENYLPROPIONIC_ACID_BENYLESTER
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H34N2O6
InChI InChI=1S/C36H34N2O6/c39-33(37-31(23-27-13-5-1-6-14-27)35(41)43-25-29-17-9-3-10-18-29)21-22-34(40)38-32(24-28-15-7-2-8-16-28)36(42)44-26-30-19-11-4-12-20-30/h1-22,31-32H,23-26H2,(H,37,39)(H,38,40)/b22-21+/t31-,32-/m0/s1
InChIKey JPRBZXCFLNKENW-QFDKVFPNSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 590.676 g/mol
Solvent CDCl3
Source File Reference UWMZ46525