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CHEBI:181463 - 2-[(Tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid

ChEBI IDCHEBI:181463
ChEBI Name2-[(Tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H17N3O4
Net Charge0
Average Mass255.274
Monoisotopic Mass255.12191
SMILESCC(C)(C)OC(=O)NC(Cc1cncn1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeyAYMLQYFMYHISQO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
2-[(Tert-butoxycarbonyl)amino]-3-(1H-imidazol-4-yl)propanoic acid (CHEBI:181463) is a histidine derivative (CHEBI:24599)
IUPAC Name 
3-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Manual XrefsDatabases
295527ChemSpider