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(.alpha.)N-(Trifluoroacetyl)-(IM)N-(ethoxycarbonyl)-L-histidine-n-butyl ester

View entire compound with spectra: 2 MS (GC)

(.alpha.)N-(Trifluoroacetyl)-(IM)N-(ethoxycarbonyl)-L-histidine-n-butyl ester
SpectraBase Compound ID 8dyF6qQ3Lc9
InChI InChI=1S/C15H20F3N3O5/c1-3-5-6-26-12(22)11(20-13(23)15(16,17)18)7-10-8-21(9-19-10)14(24)25-4-2/h8-9,11H,3-7H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKey DXVNECLRQMETGS-NSHDSACASA-N
Mol Weight 379.34 g/mol
Molecular Formula C15H20F3N3O5
Exact Mass 379.135505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EQ1CUd7t9z
Name (.alpha.)N-(Trifluoroacetyl)-(IM)N-(ethoxycarbonyl)-L-histidine-n-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20F3N3O5
InChI InChI=1S/C15H20F3N3O5/c1-3-5-6-26-12(22)11(20-13(23)15(16,17)18)7-10-8-21(9-19-10)14(24)25-4-2/h8-9,11H,3-7H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKey DXVNECLRQMETGS-NSHDSACASA-N
Molecular Weight 379.336 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](Cc1c[n](C(=O)OCC)cn1)(C(=O)OCCCC)[H]
SPLASH splash10-0059-5491000000-0620f3d2a0255e9d3d52
Source of Spectrum JC-562-367-2
Synonyms (.alpha.)N-Trifluoroacetyl-(IM)N-ethoxycarbonyl-L-histidine-butyl ester Ethyl 4-{(2S)-3-butoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl}-1H-imidazole-1-carboxylate
Wiley ID 1359169