CHEBI:188662 - N-[(1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-yl]prolinamide

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ChEBI Name N-[(1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-yl]prolinamide
ChEBI ID CHEBI:188662
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O3S
Net Charge 0
Average Mass 398.520
Monoisotopic Mass 398.16641
InChI InChI=1S/C22H26N2O3S/c25-22(21-12-7-16-23-21)24-19(14-13-18-8-3-1-4-9-18)15-17-28(26,27)20-10-5-2-6-11-20/h1-6,8-11,15,17,19,21,23H,7,12-14,16H2,(H,24,25)/b17-15+/t19-,21?/m0/s1
InChIKey BGTATSBYSPZUSB-BNWRYQNMSA-N
SMILES S(=O)(=O)(\C=C\[C@@H](NC(=O)C1NCCC1)CCC2=CC=CC=C2)C3=CC=CC=C3
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing N-[(1E,3S)-5-Phenyl-1-(phenylsulfonyl)-1-penten-3-yl]prolinamide (CHEBI:188662) is a proline derivative (CHEBI:26273)
IUPAC Name
N-[(E,3S)-1-(benzenesulonyl)-5-phenylpent-1-en-3-yl]pyrrolidine-2-carboxamide
Manual Xref Database
21169278 ChemSpider
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