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CHEBI:230025 - (2R,4S)-1-(Tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid

ChEBI IDCHEBI:230025
ChEBI Name(2R,4S)-1-(Tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO4
Net Charge0
Average Mass291.347
Monoisotopic Mass291.14706
SMILESCC(C)(C)OC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyJDAQDIQHICLYKH-CHWSQXEVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(2R,4S)-1-(Tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid (CHEBI:230025) is a proline derivative (CHEBI:26273)
IUPAC Name 
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
Manual XrefsDatabases
23499417ChemSpider