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4-METHOXYPHENYL-N-[(S)-ALANINYL]-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MAJOR_DIASTEREOMER
SpectraBase Compound ID KVZ2vAXIS1J
InChI InChI=1S/C17H25N2O5PS2/c1-11(2)15-10-27-17(26)19(15)25(21,18-12(3)16(20)23-5)24-14-8-6-13(22-4)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,18,21)
InChIKey MLYMDCMBMWQIAC-UHFFFAOYSA-N
Mol Weight 432.49 g/mol
Molecular Formula C17H25N2O5PS2
Exact Mass 432.094251 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kGdqSaQIhd
Name 4-METHOXYPHENYL-N-[(S)-ALANINYL]-[(S)-4-ISOPROPYLTHIAZOLIDINE-2-THIONE]-PHOSPHOROCHLORIDATE;MINOR_DIASTEREOMER
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N2O5PS2
InChI InChI=1S/C17H25N2O5PS2/c1-11(2)15-10-27-17(26)19(15)25(21,18-12(3)16(20)23-5)24-14-8-6-13(22-4)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,18,21)
InChIKey MLYMDCMBMWQIAC-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 UWMZ40555