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L-Histidine, N-benzoyl-1-[2-(phenylmethoxy)ethyl]-, methyl ester
SpectraBase Compound ID 8cWGfCg79DS
InChI InChI=1S/C23H25N3O4/c1-29-23(28)21(25-22(27)19-10-6-3-7-11-19)14-20-15-26(17-24-20)12-13-30-16-18-8-4-2-5-9-18/h2-11,15,17,21H,12-14,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKey LTWJOWBDQMQGLQ-NRFANRHFSA-N
Mol Weight 407.47 g/mol
Molecular Formula C23H25N3O4
Exact Mass 407.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGWW7kmRZQL
Name L-Histidine, N-benzoyl-1-[2-(phenylmethoxy)ethyl]-, methyl ester
Alternate Name(s) Methyl (2S)-2-(benzoylamino)-3-{1-[2-(benzyloxy)ethyl]-1H-imidazol-4-yl}propanoate Methyl ester of n(.alpha.)-benzoyl-n(.tau.)-(2-benzyloxyethyl)histidine
CAS Registry Number 87867-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O4
InChI InChI=1S/C23H25N3O4/c1-29-23(28)21(25-22(27)19-10-6-3-7-11-19)14-20-15-26(17-24-20)12-13-30-16-18-8-4-2-5-9-18/h2-11,15,17,21H,12-14,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKey LTWJOWBDQMQGLQ-NRFANRHFSA-N
Molecular Weight 407.470 g/mol
SMILES N(C(=O)c1ccccc1)[C@@](Cc1nc[n](CCOCc2ccccc2)c1)(C(=O)OC)[H]
SPLASH splash10-0a4l-9802400000-c2fc253bb260faa05759
Source of Spectrum KC-1983-1216-0
Wiley ID 1372585