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4-METHYLPHENYL-N-[(S)-ALANINYL]-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
SpectraBase Compound ID 4OlwQavdDIA
InChI InChI=1S/C17H25N2O4PS2/c1-11(2)15-10-26-17(25)19(15)24(21,18-13(4)16(20)22-5)23-14-8-6-12(3)7-9-14/h6-9,11,13,15H,10H2,1-5H3,(H,18,21)
InChIKey WFBOODBBUHEOAZ-UHFFFAOYSA-N
Mol Weight 416.49 g/mol
Molecular Formula C17H25N2O4PS2
Exact Mass 416.099337 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0ETVM3GHsO
Name 4-METHYLPHENYL-N-[(S)-ALANINYL]-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N2O4PS2
InChI InChI=1S/C17H25N2O4PS2/c1-11(2)15-10-26-17(25)19(15)24(21,18-13(4)16(20)22-5)23-14-8-6-12(3)7-9-14/h6-9,11,13,15H,10H2,1-5H3,(H,18,21)
InChIKey WFBOODBBUHEOAZ-UHFFFAOYSA-N
Literature Reference Author C.A.ROMAN,J.BALZARINI,C.MEIER
Literature Reference Citation J.MED.CHEM.,53,7675(2010)
Literature Reference DOI 10.1021/jm100817f
Solvent CDCl3
Source File Reference UWMZ40554