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CHEBI:45641 - (1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate

ChEBI IDCHEBI:45641
ChEBI Name(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
Stars
ASCII Name(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
Last Modified28 February 2008
DownloadsMolfile
FormulaC28H41NO4
Net Charge0
Average Mass455.639
Monoisotopic Mass455.30356
SMILES[H]c1c([H])c([H])c(C([H])([H])C([H])([H])[C@@]([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])C([H])([H])C2([H])[H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C28H41NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5,7-8,13-14,22-24H,4,6,9-12,15-20H2,1-3H3/t23-,24+/m0/s1
InChIKeyPANCOFAQARSQHI-BJKOFHAPSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CHEBI:45641) is a N-acylpiperidine (CHEBI:48591)
(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate (CHEBI:45641) is a piperidinecarboxylate ester (CHEBI:48630)
Synonyms  Source
1-CYCLOHEXYL-3-PHENYL-1-PROPYL-1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATEPDBeChem
(1R)-1-cyclohexyl-3-phenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylatePDBeChem
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