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L-Histidine, N-(N-benzoyl-L-.alpha.-glutamyl)-1-(ethoxycarbonyl)-, 5-methyl ester
SpectraBase Compound ID 78jSZf9NNaF
InChI InChI=1S/C22H26N4O8/c1-3-34-22(32)26-12-15(23-13-26)11-17(21(30)31)25-20(29)16(9-10-18(27)33-2)24-19(28)14-7-5-4-6-8-14/h4-8,12-13,16-17H,3,9-11H2,1-2H3,(H,24,28)(H,25,29)(H,30,31)
InChIKey ULXFYMDQSPCXTA-UHFFFAOYSA-N
Mol Weight 474.47 g/mol
Molecular Formula C22H26N4O8
Exact Mass 474.175064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SmQHos5OQE
Name L-Histidine, N-(N-benzoyl-L-.alpha.-glutamyl)-1-(ethoxycarbonyl)-, 5-methyl ester
CAS Registry Number 55521-20-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N4O8
InChI InChI=1S/C22H26N4O8/c1-3-34-22(32)26-12-15(23-13-26)11-17(21(30)31)25-20(29)16(9-10-18(27)33-2)24-19(28)14-7-5-4-6-8-14/h4-8,12-13,16-17H,3,9-11H2,1-2H3,(H,24,28)(H,25,29)(H,30,31)
InChIKey ULXFYMDQSPCXTA-UHFFFAOYSA-N
Molecular Weight 474.470 g/mol
SMILES N(C(C(NC(=O)c1ccccc1)CCC(=O)OC)=O)C(C(=O)O)Cc1c[n](C(=O)OCC)cn1
SPLASH splash10-0aor-0941100000-8661eca32188b38cac36
Source of Spectrum T-68-5000-0
Synonyms Benzoyl-glu-ome-N-ethoxycarbonyl-his N-[2-(benzoylamino)-5-methoxy-5-oxopentanoyl]-1-(ethoxycarbonyl)histidine
Wiley ID 1393767