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Methyl (2S)-N-[(2S)-N-[(2S)-N-(4-chlorobutyryl)prolyl]prolyl}alaninate

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Methyl (2S)-N-[(2S)-N-[(2S)-N-(4-chlorobutyryl)prolyl]prolyl}alaninate
SpectraBase Compound ID 2Evx2Axd7rV
InChI InChI=1S/C18H28ClN3O5/c1-12(18(26)27-2)20-16(24)13-6-4-11-22(13)17(25)14-7-5-10-21(14)15(23)8-3-9-19/h12-14H,3-11H2,1-2H3,(H,20,24)/t12-,13+,14+/m1/s1
InChIKey KYOGGPLOZCMDBI-RDBSUJKOSA-N
Mol Weight 401.89 g/mol
Molecular Formula C18H28ClN3O5
Exact Mass 401.171749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NcXxZ0yiZK
Name METHYL-(2S)-N-{(2S)-N-[(2S)-N-(4-CHLOROBUTYRYL)-PROLYL]-PROLYL}-ALANINATE
Compound Number 10-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28ClN3O5
InChI InChI=1S/C18H28ClN3O5/c1-12(18(26)27-2)20-16(24)13-6-4-11-22(13)17(25)14-7-5-10-21(14)15(23)8-3-9-19/h12-14H,3-11H2,1-2H3,(H,20,24)/t12-,13+,14+/m1/s1
InChIKey KYOGGPLOZCMDBI-RDBSUJKOSA-N
Literature Reference Author A.LEWIS,M.D.RYAN,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3767(1998)
Literature Reference DOI 10.1039/a806028b
Molecular Weight 401.890 g/mol
Solvent CDCl3