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7-(N-BENZYLPIPERIDIN-4-YL-2-ETHYLAMIDO)-N-BENZYLOXYCARBONYL-ALPHA-AMINO-PIMELIC-ACID-1-ETHYLESTER
SpectraBase Compound ID Jt1QCloJHeN
InChI InChI=1S/C31H43N3O5/c1-2-38-30(36)28(33-31(37)39-24-27-13-7-4-8-14-27)15-9-10-16-29(35)32-20-17-25-18-21-34(22-19-25)23-26-11-5-3-6-12-26/h3-8,11-14,25,28H,2,9-10,15-24H2,1H3,(H,32,35)(H,33,37)/t28-/m0/s1
InChIKey XTSWPNWEPNXOJG-NDEPHWFRSA-N
Mol Weight 537.7 g/mol
Molecular Formula C31H43N3O5
Exact Mass 537.320271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Rx15x0LgmO
Name 7-(N-BENZYLPIPERIDIN-4-YL-2-ETHYLAMIDO)-N-BENZYLOXYCARBONYL-ALPHA-AMINO-PIMELIC-ACID-1-ETHYLESTER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H43N3O5
InChI InChI=1S/C31H43N3O5/c1-2-38-30(36)28(33-31(37)39-24-27-13-7-4-8-14-27)15-9-10-16-29(35)32-20-17-25-18-21-34(22-19-25)23-26-11-5-3-6-12-26/h3-8,11-14,25,28H,2,9-10,15-24H2,1H3,(H,32,35)(H,33,37)/t28-/m0/s1
InChIKey XTSWPNWEPNXOJG-NDEPHWFRSA-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 537.700 g/mol
Solvent CDCl3
Source File Reference UWVN20176