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(2rs,3sr)-3-Hydroxy-N-tert-butyl-N(.alpha.)-phthaloyl-p-nitrophenylalaninamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2rs,3sr)-3-Hydroxy-N-tert-butyl-N(.alpha.)-phthaloyl-p-nitrophenylalaninamide
SpectraBase Compound ID GUvXS9heVoc
InChI InChI=1S/C21H21N3O6/c1-21(2,3)22-18(26)16(17(25)12-8-10-13(11-9-12)24(29)30)23-19(27)14-6-4-5-7-15(14)20(23)28/h4-11,16-17,25H,1-3H3,(H,22,26)
InChIKey ZBSUNJRJHLMEJC-UHFFFAOYSA-N
Mol Weight 411.41 g/mol
Molecular Formula C21H21N3O6
Exact Mass 411.143035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0r7fcEUSQ
Name (2rs,3sr)-3-Hydroxy-N-tert-butyl-N(.alpha.)-phthaloyl-p-nitrophenylalaninamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.143035402 u
Formula C21H21N3O6
InChI InChI=1S/C21H21N3O6/c1-21(2,3)22-18(26)16(17(25)12-8-10-13(11-9-12)24(29)30)23-19(27)14-6-4-5-7-15(14)20(23)28/h4-11,16-17,25H,1-3H3,(H,22,26)
InChIKey ZBSUNJRJHLMEJC-UHFFFAOYSA-N
Molecular Weight 411.414 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)C(C(NC(C)(C)C)=O)C(C1=CC=C(N(=O)=O)C=C1)O)=O