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(2S,4S)-N-[(2S)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL]-PROLYL]-4-MERCAPTOPROLINE-METHYLAMIDE
SpectraBase Compound ID 4LLpqbOYbO5
InChI InChI=1S/C19H29ClN4O4S/c1-11(20)17(26)22-7-3-5-13(22)18(27)23-8-4-6-14(23)19(28)24-10-12(29)9-15(24)16(25)21-2/h11-15,29H,3-10H2,1-2H3,(H,21,25)/t11-,12?,13-,14-,15?/m0/s1
InChIKey GYWTUTLSLPBCDF-COYCRWBJSA-N
Mol Weight 444.98 g/mol
Molecular Formula C19H29ClN4O4S
Exact Mass 444.159804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUOecNHPPgS
Name (2S,4S)-N-[(2S)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL]-PROLYL]-4-MERCAPTOPROLINE-METHYLAMIDE
Compound Number TTC;41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29ClN4O4S
InChI InChI=1S/C19H29ClN4O4S/c1-11(20)17(26)22-7-3-5-13(22)18(27)23-8-4-6-14(23)19(28)24-10-12(29)9-15(24)16(25)21-2/h11-15,29H,3-10H2,1-2H3,(H,21,25)/t11-,12?,13-,14-,15?/m0/s1
InChIKey GYWTUTLSLPBCDF-COYCRWBJSA-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 444.977 g/mol
Solvent CDCl3
Source File Reference UWCP9363