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CHEBI:42871 - (2S)-3-(3-pyridyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)pyrrolidine-2-carboxylate

ChEBI IDCHEBI:42871
ChEBI Name(2S)-3-(3-pyridyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)pyrrolidine-2-carboxylate
Stars
ASCII Name(2S)-3-(3-pyridyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)pyrrolidine-2-carboxylate
Last Modified7 January 2015
DownloadsMolfile
FormulaC20H28N2O4
Net Charge0
Average Mass360.454
Monoisotopic Mass360.20491
SMILES[H]c1nc([H])c(C([H])([H])C([H])([H])C([H])([H])OC(=O)[C@@]2([H])N(C(=O)C(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
InChIKeyOQAHHWOPVDDWHD-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-3-(3-pyridyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)pyrrolidine-2-carboxylate (CHEBI:42871) is a N-acylpyrrolidine (CHEBI:46766)
(2S)-3-(3-pyridyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)pyrrolidine-2-carboxylate (CHEBI:42871) is a L-proline derivative (CHEBI:84186)
(2S)-3-(3-pyridyl)propyl 1-(3,3-dimethyl-1,2-dioxopentyl)pyrrolidine-2-carboxylate (CHEBI:42871) is a α-amino acid ester (CHEBI:46874)
Synonyms  Source
3-pyridin-3-ylpropyl 1-(3,3-dimethyl-2-oxopentanoyl)-L-prolinatePDBeChem
(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATEPDBeChem
Manual XrefsDatabases
GPIPDBeChem