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METHYL-(2S,4S)-N-[(2S)-N-[(2S)-N-[(2S)-2-CH”OROPROPIONYL]-PROPYL]-PROPYL]-4-MERCAPTOPROLINATE
SpectraBase Compound ID FFfrJNPwq65
InChI InChI=1S/C19H28ClN3O5S/c1-11(20)16(24)21-7-3-5-13(21)17(25)22-8-4-6-14(22)18(26)23-10-12(29)9-15(23)19(27)28-2/h11-15,29H,3-10H2,1-2H3/t11-,12?,13-,14-,15?/m0/s1
InChIKey AORJSBGJFVIZKJ-COYCRWBJSA-N
Mol Weight 445.96 g/mol
Molecular Formula C19H28ClN3O5S
Exact Mass 445.14382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E1zo4AXwUAv
Name METHYL-(2S,4S)-N-[(2S)-N-[(2S)-N-[(2S)-2-CH”OROPROPIONYL]-PROPYL]-PROPYL]-4-MERCAPTOPROLINATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28ClN3O5S
InChI InChI=1S/C19H28ClN3O5S/c1-11(20)16(24)21-7-3-5-13(21)17(25)22-8-4-6-14(22)18(26)23-10-12(29)9-15(23)19(27)28-2/h11-15,29H,3-10H2,1-2H3/t11-,12?,13-,14-,15?/m0/s1
InChIKey AORJSBGJFVIZKJ-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 445.961 g/mol
Solvent CDCl3
Source File Reference UWCP9336