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METHYL-(2S,4S)-N-((2S)-N-{(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL)-PROLYL}-4-HYDROXYPROLINATE
SpectraBase Compound ID EmVULjRFWOI
InChI InChI=1S/C19H28ClN3O6/c1-11(20)16(25)21-7-3-5-13(21)17(26)22-8-4-6-14(22)18(27)23-10-12(24)9-15(23)19(28)29-2/h11-15,24H,3-10H2,1-2H3/t11-,12?,13-,14-,15?/m0/s1
InChIKey BCJPTJMDYKKPFY-COYCRWBJSA-N
Mol Weight 429.9 g/mol
Molecular Formula C19H28ClN3O6
Exact Mass 429.166663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASqFigSVcN4
Name METHYL-(2S,4S)-N-((2S)-N-{(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL)-PROLYL}-4-HYDROXYPROLINATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28ClN3O6
InChI InChI=1S/C19H28ClN3O6/c1-11(20)16(25)21-7-3-5-13(21)17(26)22-8-4-6-14(22)18(27)23-10-12(24)9-15(23)19(28)29-2/h11-15,24H,3-10H2,1-2H3/t11-,12?,13-,14-,15?/m0/s1
InChIKey BCJPTJMDYKKPFY-COYCRWBJSA-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 429.901 g/mol
Solvent CDCl3
Source File Reference UWKP2101