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2-(N-Benzyloxycarbonylamino)-2-(.alpha.-trifluoromethyl)-5-[(di-tert-butyloxycarbonyl)amino]pentanoic acid
SpectraBase Compound ID EgWQCxDRDkU
InChI InChI=1S/C24H33F3N2O8/c1-21(2,3)36-19(33)29(20(34)37-22(4,5)6)14-10-13-23(17(30)31,24(25,26)27)28-18(32)35-15-16-11-8-7-9-12-16/h7-9,11-12H,10,13-15H2,1-6H3,(H,28,32)(H,30,31)
InChIKey ACTKASFIOXMITG-UHFFFAOYSA-N
Mol Weight 534.5 g/mol
Molecular Formula C24H33F3N2O8
Exact Mass 534.218901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KxKkJOPPrY
Name 2-(N-Benzyloxycarbonylamino)-2-(.alpha.-trifluoromethyl)-5-[(di-tert-butyloxycarbonyl)amino]pentanoic acid
Alternate Name(s) N(2)-[(benzyloxy)carbonyl]-N(5),N(5)-bis(tert-butoxycarbonyl)-2-(trifluoromethyl)ornithine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33F3N2O8
InChI InChI=1S/C24H33F3N2O8/c1-21(2,3)36-19(33)29(20(34)37-22(4,5)6)14-10-13-23(17(30)31,24(25,26)27)28-18(32)35-15-16-11-8-7-9-12-16/h7-9,11-12H,10,13-15H2,1-6H3,(H,28,32)(H,30,31)
InChIKey ACTKASFIOXMITG-UHFFFAOYSA-N
Molecular Weight 534.529 g/mol
SMILES N(C(C(=O)O)(C(F)(F)F)CCCN(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C(=O)OCc1ccccc1
SPLASH splash10-000f-9701000000-adab2bcc730173afaa0e
Source of Spectrum F-54-6025-5
Wiley ID 807228