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CHEBI:188867 - 4-(1-Pyrenyl)butyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]valinate

ChEBI IDCHEBI:188867
ChEBI Name4-(1-Pyrenyl)butyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]valinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H37NO4
Net Charge0
Average Mass595.739
Monoisotopic Mass595.27226
SMILESCC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCCCCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C40H37NO4/c1-25(2)38(41-40(43)45-24-35-33-15-5-3-13-31(33)32-14-4-6-16-34(32)35)39(42)44-23-8-7-10-26-17-18-29-20-19-27-11-9-12-28-21-22-30(26)37(29)36(27)28/h3-6,9,11-22,25,35,38H,7-8,10,23-24H2,1-2H3,(H,41,43)/t38-/m0/s1
InChIKeyGKVLJQKCWTUYMU-LHEWISCISA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
4-(1-Pyrenyl)butyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]valinate (CHEBI:188867) is a pyrenes (CHEBI:59659)
IUPAC Name 
4-pyren-1-ylbutyl (2S)-2-(9H-luoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
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