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1-NAPHTHYL-N-[(S)-ALANINYL]-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
SpectraBase Compound ID Fa4s9eVltKF
InChI InChI=1S/C20H25N2O4PS2/c1-13(2)17-12-29-20(28)22(17)27(24,21-14(3)19(23)25-4)26-18-11-7-9-15-8-5-6-10-16(15)18/h5-11,13-14,17H,12H2,1-4H3,(H,21,24)
InChIKey RTRWNRGSMFNZOQ-UHFFFAOYSA-N
Mol Weight 452.52 g/mol
Molecular Formula C20H25N2O4PS2
Exact Mass 452.099337 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJH9sLo8sqz
Name 1-NAPHTHYL-N-[(S)-ALANINYL]-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MINOR_DIASTEREOMER
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N2O4PS2
InChI InChI=1S/C20H25N2O4PS2/c1-13(2)17-12-29-20(28)22(17)27(24,21-14(3)19(23)25-4)26-18-11-7-9-15-8-5-6-10-16(15)18/h5-11,13-14,17H,12H2,1-4H3,(H,21,24)
InChIKey RTRWNRGSMFNZOQ-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 UWMZ40559