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(S)-BENZYL-2-{/Z)-3-(S)-1-((S)-1-BENZYLOXYCARBONYLETHYLCARBAMOYL)-2-PHENYLETHYLCARBAMOYL]-ACRYLOYLAMINO}-3-PHENYLPROPIONATE

View entire compound with spectra: 1 NMR

(S)-BENZYL-2-{/Z)-3-(S)-1-((S)-1-BENZYLOXYCARBONYLETHYLCARBAMOYL)-2-PHENYLETHYLCARBAMOYL]-ACRYLOYLAMINO}-3-PHENYLPROPIONATE
SpectraBase Compound ID 6vtufbthwPd
InChI InChI=1S/C39H39N3O7/c1-28(38(46)48-26-31-18-10-4-11-19-31)40-37(45)33(24-29-14-6-2-7-15-29)41-35(43)22-23-36(44)42-34(25-30-16-8-3-9-17-30)39(47)49-27-32-20-12-5-13-21-32/h2-23,28,33-34H,24-27H2,1H3,(H,40,45)(H,41,43)(H,42,44)/b23-22-/t28-,33-,34-/m0/s1
InChIKey JSSLVLBSWUOXKH-BQEBWFSCSA-N
Mol Weight 661.8 g/mol
Molecular Formula C39H39N3O7
Exact Mass 661.278801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 318fPjcrZJw
Name (S)-BENZYL-2-{/Z)-3-(S)-1-((S)-1-BENZYLOXYCARBONYLETHYLCARBAMOYL)-2-PHENYLETHYLCARBAMOYL]-ACRYLOYLAMINO}-3-PHENYLPROPIONATE
Compound Number 43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H39N3O7
InChI InChI=1S/C39H39N3O7/c1-28(38(46)48-26-31-18-10-4-11-19-31)40-37(45)33(24-29-14-6-2-7-15-29)41-35(43)22-23-36(44)42-34(25-30-16-8-3-9-17-30)39(47)49-27-32-20-12-5-13-21-32/h2-23,28,33-34H,24-27H2,1H3,(H,40,45)(H,41,43)(H,42,44)/b23-22-/t28-,33-,34-/m0/s1
InChIKey JSSLVLBSWUOXKH-BQEBWFSCSA-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 661.755 g/mol
Solvent CDCl3
Source File Reference UWMZ46529