METHYL-(2S,4S)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-2-METHYLPROLYL]-PROLYLY]-4-MERCAPTOPROLINATE

SpectraBase Compound ID	1YB9uXqgPy2
InChI	InChI=1S/C20H30ClN3O5S/c1-12(21)16(25)24-9-5-7-20(24,2)19(28)22-8-4-6-14(22)17(26)23-11-13(30)10-15(23)18(27)29-3/h12-15,30H,4-11H2,1-3H3/t12-,13?,14-,15?,20-/m0/s1
InChIKey	KZEWHWVBHCJRLM-MHXKVFOZSA-N Google Search
Mol Weight	459.99 g/mol
Molecular Formula	C20H30ClN3O5S
Exact Mass	459.15947 g/mol

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SpectraBase Spectrum ID	FORrNz7pfOu
Name	METHYL-(2S,4S)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-2-METHYLPROLYL]-PROLYLY]-4-MERCAPTOPROLINATE
Compound Number	1 9
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C20H30ClN3O5S
InChI	InChI=1S/C20H30ClN3O5S/c1-12(21)16(25)24-9-5-7-20(24,2)19(28)22-8-4-6-14(22)17(26)23-11-13(30)10-15(23)18(27)29-3/h12-15,30H,4-11H2,1-3H3/t12-,13?,14-,15?,20-/m0/s1
InChIKey	KZEWHWVBHCJRLM-MHXKVFOZSA-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	459.988 g/mol
Solvent	CDCl3
Source File Reference	UWCP9344