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N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
SpectraBase Compound ID FYTtzpdwN1W
InChI InChI=1S/C43H51N7O6/c51-39-29-50(38(28-45-39)37(25-32-15-5-1-6-16-32)49-42(54)47-27-34-19-9-3-10-20-34)30-40(52)48-36(41(53)46-26-33-17-7-2-8-18-33)23-13-14-24-44-43(55)56-31-35-21-11-4-12-22-35/h1-12,15-22,36-38H,13-14,23-31H2,(H,44,55)(H,45,51)(H,46,53)(H,48,52)(H2,47,49,54)/t36?,37-,38-/m0/s1
InChIKey KDMDHTGLKPRSQZ-RJHNEXDJSA-N
Mol Weight 761.9 g/mol
Molecular Formula C43H51N7O6
Exact Mass 761.390082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfBC1PkKLcm
Name N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H51N7O6
InChI InChI=1S/C43H51N7O6/c51-39-29-50(38(28-45-39)37(25-32-15-5-1-6-16-32)49-42(54)47-27-34-19-9-3-10-20-34)30-40(52)48-36(41(53)46-26-33-17-7-2-8-18-33)23-13-14-24-44-43(55)56-31-35-21-11-4-12-22-35/h1-12,15-22,36-38H,13-14,23-31H2,(H,44,55)(H,45,51)(H,46,53)(H,48,52)(H2,47,49,54)/t36?,37-,38-/m0/s1
InChIKey KDMDHTGLKPRSQZ-RJHNEXDJSA-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 761.921 g/mol
Solvent ACETONE-D6
Source File Reference UWBT14765