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(RP)-4-METHYLPHENYL-N-[(S)-BENZYLALANINYL]-(4-ISOPROPYLTHIAZOLIDINE-2-THIONE)-PHOSPHORODIAMIDATE

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(RP)-4-METHYLPHENYL-N-[(S)-BENZYLALANINYL]-(4-ISOPROPYLTHIAZOLIDINE-2-THIONE)-PHOSPHORODIAMIDATE
SpectraBase Compound ID KmvG7YN81fY
InChI InChI=1S/C23H29N2O4PS2/c1-16(2)21-15-32-23(31)25(21)30(27,29-20-12-10-17(3)11-13-20)24-18(4)22(26)28-14-19-8-6-5-7-9-19/h5-13,16,18,21H,14-15H2,1-4H3,(H,24,27)/t18-,21+,30?/m0/s1
InChIKey KCMZRLISDXRAPV-ZFJCWLJNSA-N
Mol Weight 492.59 g/mol
Molecular Formula C23H29N2O4PS2
Exact Mass 492.130637 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59fLwRzQlDq
Name (RP)-4-METHYLPHENYL-N-[(S)-BENZYLALANINYL]-(4-ISOPROPYLTHIAZOLIDINE-2-THIONE)-PHOSPHORODIAMIDATE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29N2O4PS2
InChI InChI=1S/C23H29N2O4PS2/c1-16(2)21-15-32-23(31)25(21)30(27,29-20-12-10-17(3)11-13-20)24-18(4)22(26)28-14-19-8-6-5-7-9-19/h5-13,16,18,21H,14-15H2,1-4H3,(H,24,27)/t18-,21+,30?/m0/s1
InChIKey KCMZRLISDXRAPV-ZFJCWLJNSA-N
Literature Reference Author C.A.ROMAN,P.WASSERTHAL,J.BALZARINI,C.MEIER
Literature Reference Citation EUR.J.ORG.CHEM.,2011,4899(2011)
Solvent CDCl3
Source File Reference UWBT21251