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N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN

Compound with spectra: 1 NMR

N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
SpectraBase Compound ID 9b8qnTdOEY
InChI InChI=1S/C47H58N6O7/c1-47(2,3)60-46(58)51-40(28-35-18-8-4-9-19-35)41-31-53(30-37-22-12-6-13-23-37)43(55)33-52(41)32-42(54)50-39(44(56)49-29-36-20-10-5-11-21-36)26-16-17-27-48-45(57)59-34-38-24-14-7-15-25-38/h4-15,18-25,39-41H,16-17,26-34H2,1-3H3,(H,48,57)(H,49,56)(H,50,54)(H,51,58)/t39?,40-,41-/m0/s1
InChIKey VKARADMOWGREDE-YHASFJITSA-N
Mol Weight 819.0 g/mol
Molecular Formula C47H58N6O7
Exact Mass 818.436698 g/mol
Enantiomer InChIKey VKARADMOWGREDE-PUZNSPBHSA-N

View Spectrum of N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
N-[2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
N-[2-[4-BENZYL-(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[4-BENZYL-(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[4-BENZYL-(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[4-BENZYL-5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE
N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE
N-[2-[4-BENZYL-5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
N-[2-[4-BENZYL-5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ARG-NH-BN
Title Journal or Book Year
Exploring the Phe-Gly Dipeptide-Derived Piperazinone Scaffold in the Search for Antagonists of the Thrombin Receptor PAR1 Molecules 2014
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