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CHEBI:188667 - 2-(4-Boc-piperazino)-2-phenylacetic acid

ChEBI IDCHEBI:188667
ChEBI Name2-(4-Boc-piperazino)-2-phenylacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24N2O4
Net Charge0
Average Mass320.389
Monoisotopic Mass320.17361
SMILESCC(C)(C)OC(=O)N1CCN(C(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)
InChIKeyQPEHPIVVAWESTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(4-Boc-piperazino)-2-phenylacetic acid (CHEBI:188667) is a α-amino acid (CHEBI:33704)
IUPAC Name 
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetic acid
Manual XrefsDatabases
2042934ChemSpider