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2-(Benzyloxycarbonyl-.alpha.L-valinyl)amino-5-cyano-6-phenyl-4-thioxo-4H-pyran-3-ylphosphonic acid diethyl ester
SpectraBase Compound ID 9MYHhvcYk2K
InChI InChI=1S/C29H32N3O7PS/c1-5-37-40(35,38-6-2)25-26(41)22(17-30)24(21-15-11-8-12-16-21)39-28(25)32-27(33)23(19(3)4)31-29(34)36-18-20-13-9-7-10-14-20/h7-16,19,23H,5-6,18H2,1-4H3,(H,31,34)(H,32,33)/t23-/m1/s1
InChIKey QJWGAESEDVZHEH-HSZRJFAPSA-N
Mol Weight 597.6 g/mol
Molecular Formula C29H32N3O7PS
Exact Mass 597.169859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2T9TNvmHLus
Name 2-(BENZYLOXYCARBONYL-ALPHA-L-VALINYL)-AMINO-5-CYANO-6-PHENYL-4-THIOXO-4H-PYRAN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 12.1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32N3O7PS
InChI InChI=1S/C29H32N3O7PS/c1-5-37-40(35,38-6-2)25-26(41)22(17-30)24(21-15-11-8-12-16-21)39-28(25)32-27(33)23(19(3)4)31-29(34)36-18-20-13-9-7-10-14-20/h7-16,19,23H,5-6,18H2,1-4H3,(H,31,34)(H,32,33)/t23-/m1/s1
InChIKey QJWGAESEDVZHEH-HSZRJFAPSA-N
Literature Reference Author D.U.HAHN,R.NEIDLEIN
Literature Reference Citation HETEROCYCLES,50,1041(1999)
Literature Reference DOI 10.3987/COM-98-S(H)108
Molecular Weight 597.623 g/mol
Solvent CDCl3