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N-[2-[4-BENZYL-5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID 1EpUCYitBM0
InChI InChI=1S/C41H49N7O4.ClH/c42-24-14-13-23-35(40(51)43-26-32-17-7-2-8-18-32)45-38(49)29-47-30-39(50)48(27-33-19-9-3-10-20-33)28-37(47)36(25-31-15-5-1-6-16-31)46-41(52)44-34-21-11-4-12-22-34;/h1-12,15-22,35-37H,13-14,23-30,42H2,(H,43,51)(H,45,49)(H2,44,46,52);1H/t35?,36-,37-;/m0./s1
InChIKey FEGSKXCONMYMTJ-CSKPZWQUSA-N
Mol Weight 740.3 g/mol
Molecular Formula C41H50ClN7O4
Exact Mass 739.361281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqBqsGhpufO
Name N-[2-[4-BENZYL-5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE
Compound Number 19B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H50ClN7O4
InChI InChI=1S/C41H49N7O4.ClH/c42-24-14-13-23-35(40(51)43-26-32-17-7-2-8-18-32)45-38(49)29-47-30-39(50)48(27-33-19-9-3-10-20-33)28-37(47)36(25-31-15-5-1-6-16-31)46-41(52)44-34-21-11-4-12-22-34;/h1-12,15-22,35-37H,13-14,23-30,42H2,(H,43,51)(H,45,49)(H2,44,46,52);1H/t35?,36-,37-;/m0./s1
InChIKey FEGSKXCONMYMTJ-CSKPZWQUSA-N
Literature Reference Author A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ
Literature Reference Citation MOLECULES,19,4814(2014)
Literature Reference DOI 10.3390/molecules19044814
Molecular Weight 740.345 g/mol
Solvent DMSO-D6
Source File Reference UWBT14801