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(2R,3R)-3-Bromo-N-tert-butyl-N(.alpha.)-phthaloylphenylalaninamide
SpectraBase Compound ID JPe9NefxvEB
InChI InChI=1S/C21H21BrN2O3/c1-21(2,3)23-18(25)17(16(22)13-9-5-4-6-10-13)24-19(26)14-11-7-8-12-15(14)20(24)27/h4-12,16-17H,1-3H3,(H,23,25)/t16-,17+/m1/s1
InChIKey HGDGQMIKCJDCLF-SJORKVTESA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdG47CNGqe6
Name (2R,3R)-3-Bromo-N-tert-butyl-N(.alpha.)-phthaloylphenylalaninamide
Alternate Name(s) (2R,3R)-3-bromo-N-(tert-butyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BrN2O3
InChI InChI=1S/C21H21BrN2O3/c1-21(2,3)23-18(25)17(16(22)13-9-5-4-6-10-13)24-19(26)14-11-7-8-12-15(14)20(24)27/h4-12,16-17H,1-3H3,(H,23,25)/t16-,17+/m1/s1
InChIKey HGDGQMIKCJDCLF-SJORKVTESA-N
Molecular Weight 429.314 g/mol
SMILES N(C([C@@](N1C(c2ccccc2C1=O)=O)([C@@](c1ccccc1)(Br)[H])[H])=O)C(C)(C)C
SPLASH splash10-0002-0190100000-7bfda763ff78dd88bf41
Source of Spectrum F-50-7336-6
Wiley ID 1380606