EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42572 - [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE

Default Structure
ChEBI IDCHEBI:42572
ChEBI Name[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H29FN4O4
Net Charge0
Average Mass444.507
Monoisotopic Mass444.21728
SMILES[H]c1nn([H])c(N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])C2(C([H])([H])c3c([H])c([H])c(F)c([H])c3[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c1[H]
InChIInChI=1S/C23H29FN4O4/c1-2-3-5-18(20(29)21(30)27-19-10-13-25-28-19)26-22(31)32-15-23(11-4-12-23)14-16-6-8-17(24)9-7-16/h6-10,13,18H,2-5,11-12,14-15H2,1H3,(H,26,31)(H2,25,27,28,30)/t18-/m0/s1
InChIKeyQTPYRNAKLBXKNP-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE (CHEBI:42572) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[1-(4-fluorobenzyl)cyclobutyl]methyl {(1S)-1-[oxo(1H-pyrazol-5-ylamino)acetyl]pentyl}carbamatePDBeChem
[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATEPDBeChem
Manual XrefsDatabases
FSPPDBeChem