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1-[N-(4-CHLOROPHENYLMETHYL)-PIPERAZINYL-2-ETHYLAMIDO]-N-BENZYLOXYCARBONYL-S-GLUTAMIC-ACID-5-ETHYLESTER
SpectraBase Compound ID F5gTfU66YJO
InChI InChI=1S/C28H37ClN4O5/c1-2-37-26(34)13-12-25(31-28(36)38-21-23-6-4-3-5-7-23)27(35)30-14-15-32-16-18-33(19-17-32)20-22-8-10-24(29)11-9-22/h3-11,25H,2,12-21H2,1H3,(H,30,35)(H,31,36)/t25-/m0/s1
InChIKey WYSCZPSNUAQDCC-VWLOTQADSA-N
Mol Weight 545.1 g/mol
Molecular Formula C28H37ClN4O5
Exact Mass 544.245248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEKG3gGE2XL
Name 1-[N-(4-CHLOROPHENYLMETHYL)-PIPERAZINYL-2-ETHYLAMIDO]-N-BENZYLOXYCARBONYL-S-GLUTAMIC-ACID-5-ETHYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37ClN4O5
InChI InChI=1S/C28H37ClN4O5/c1-2-37-26(34)13-12-25(31-28(36)38-21-23-6-4-3-5-7-23)27(35)30-14-15-32-16-18-33(19-17-32)20-22-8-10-24(29)11-9-22/h3-11,25H,2,12-21H2,1H3,(H,30,35)(H,31,36)/t25-/m0/s1
InChIKey WYSCZPSNUAQDCC-VWLOTQADSA-N
Literature Reference Author A.MARTINEZ,C.LANOT,C.PEREZ,A.CASTRO,P.LOPEZ-SERRANO,S.CONDE
Literature Reference Citation BIOORG.MED.CHEM.,8,731(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00020-1
Molecular Weight 545.079 g/mol
Solvent CDCl3
Source File Reference UWVN20170