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(2S,4S)-N-[(2S)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL]-PROLYL]-4-(ACETYLTHIO)-PROLINE-METHYLAMIDE
SpectraBase Compound ID JjlOqUL52iJ
InChI InChI=1S/C21H31ClN4O5S/c1-12(22)19(29)24-8-4-6-15(24)20(30)25-9-5-7-16(25)21(31)26-11-14(32-13(2)27)10-17(26)18(28)23-3/h12,14-17H,4-11H2,1-3H3,(H,23,28)/t12-,14?,15-,16-,17?/m0/s1
InChIKey WFXVMUWWNQINIC-XTVZIMBFSA-N
Mol Weight 487.02 g/mol
Molecular Formula C21H31ClN4O5S
Exact Mass 486.170369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2fYgDMb6US
Name (2S,4S)-N-[(2S)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL]-PROLYL]-4-(ACETYLTHIO)-PROLINE-METHYLAMIDE
Compound Number TTC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31ClN4O5S
InChI InChI=1S/C21H31ClN4O5S/c1-12(22)19(29)24-8-4-6-15(24)20(30)25-9-5-7-16(25)21(31)26-11-14(32-13(2)27)10-17(26)18(28)23-3/h12,14-17H,4-11H2,1-3H3,(H,23,28)/t12-,14?,15-,16-,17?/m0/s1
InChIKey WFXVMUWWNQINIC-XTVZIMBFSA-N
Literature Reference Author A.LEWIS,J.WILKIE,T.J.RUTHERFORD,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3777(1998)
Literature Reference DOI 10.1039/a806030d
Molecular Weight 487.014 g/mol
Solvent CDCl3
Source File Reference UWCP9361