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CHEBI:39485 - fkb-001

ChEBI IDCHEBI:39485
ChEBI Namefkb-001
Stars
Last Modified5 November 2015
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FormulaC35H42F2N2O6
Net Charge0
Average Mass624.725
Monoisotopic Mass624.30109
SMILESCOc1cc(C(F)(F)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc2ccccc2)CCCc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/s1
InChIKeyNBYCDVVSYOMFMS-VMPREFPWSA-N
ChEBI Ontology
Outgoing Relation(s)
fkb-001 (CHEBI:39485) has functional parent L-pipecolate ester (CHEBI:46876)
fkb-001 (CHEBI:39485) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(4S)-1-phenyl-7-(pyridin-3-yl)heptan-4-yl (2S)-1-[difluoro(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate
Synonyms  Source
1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTERPDBeChem
(S)-4-phenyl-1-[3-(3-pyridyl)propyl]butyl N-[difluoro(3,4,5-trimethoxy)acetyl]-L-pipecolateChEBI
Manual XrefsDatabases
001PDBeChem
DB02888DrugBank