Methyl-L-histidinate

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Systematic / IUPAC Name: Methyl 2-amino-3-(1H-imidazol-5-yl)propanoate

ID: Reference474

Other Names: Methyl L-histidinate;
Histidine methyl ester;
Methyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride;
L-Histidine methyl ester

Formula: C7H11N3O2

Spectral Data

Methyl-L-histidinate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 178
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/26/2015 12:30:23 PM
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Identificators

InChI InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/t6-/m0/s1
InChI Key BXRMEWOQUXOLDH-LURJTMIESA-N
Canonical SMILES COC(=O)C(CC1=CNC=N1)N
CAS 1499463
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Other Names Methyl L-histidinate;
Histidine methyl ester;
Methyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride;
L-Histidine methyl ester

In Other Databases

ChemSpider 83857
ChemIDPlus 001499463
ChEMBL CHEMBL54664
PubChem 92893