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N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE

Compound with spectra: 1 NMR

N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID 3v4ZLcaax0I
InChI InChI=1S/C41H48N6O5.ClH/c42-35(24-31-14-5-1-6-15-31)37-27-47(26-33-18-9-3-10-19-33)39(49)29-46(37)28-38(48)45-36(40(50)44-25-32-16-7-2-8-17-32)22-13-23-43-41(51)52-30-34-20-11-4-12-21-34;/h1-12,14-21,35-37H,13,22-30,42H2,(H,43,51)(H,44,50)(H,45,48);1H/t35-,36?,37-;/m0./s1
InChIKey XPONXSRUJNCESB-KMKWASJFSA-N
Mol Weight 741.3 g/mol
Molecular Formula C41H49ClN6O5
Exact Mass 740.345296 g/mol
Parent InChIKey HNNUFFGGSFLFQB-HSHXSFEOSA-N
Enantiomer InChIKey XPONXSRUJNCESB-RIOKXLDWSA-N

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

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)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
N-[2-[4-BENZYL-(2R)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE
N-[2-[4-BENZYL-(2S)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE
N-[2-[5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[(2R)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
N-[2-[(2S)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
2-[4-BENZYL-(2R)-[(1S)-[(TERT.-BUTOXYCARBONYL)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETIC-ACID
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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