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L-Histidine, 1-(2-hydroxypropyl)-N-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID D2KKVpizYLm
InChI InChI=1S/C18H23N3O5/c1-13(22)9-21-10-15(19-12-21)8-16(17(23)25-2)20-18(24)26-11-14-6-4-3-5-7-14/h3-7,10,12-13,16,22H,8-9,11H2,1-2H3,(H,20,24)/t13?,16-/m0/s1
InChIKey PPBGQKPEAANXBK-VYIIXAMBSA-N
Mol Weight 361.4 g/mol
Molecular Formula C18H23N3O5
Exact Mass 361.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7k2Ll4sYZ4
Name L-Histidine, 1-(2-hydroxypropyl)-N-[(phenylmethoxy)carbonyl]-, methyl ester
Alternate Name(s) Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-[1-(2-hydroxypropyl)-1H-imidazol-4-yl]propanoate Methyl ester of n(.alpha.)-benzoyloxycarbonyl-n(.tau.)-(2-hydroxypropyl)-L-histidine
CAS Registry Number 87867-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O5
InChI InChI=1S/C18H23N3O5/c1-13(22)9-21-10-15(19-12-21)8-16(17(23)25-2)20-18(24)26-11-14-6-4-3-5-7-14/h3-7,10,12-13,16,22H,8-9,11H2,1-2H3,(H,20,24)/t13?,16-/m0/s1
InChIKey PPBGQKPEAANXBK-VYIIXAMBSA-N
Molecular Weight 361.398 g/mol
SMILES OC(C[n]1cnc(C[C@](NC(=O)OCc2ccccc2)(C(=O)OC)[H])c1)C
SPLASH splash10-000i-0931000000-f2b6b8fe755c0900a762
Source of Spectrum KC-1983-1214-0
Wiley ID 1348921