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CHEBI:39834 - (2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid

ChEBI IDCHEBI:39834
ChEBI Name(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid
Stars
ASCII Name(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid
Last Modified28 November 2014
DownloadsMolfile
FormulaC21H24FN3O5
Net Charge0
Average Mass417.437
Monoisotopic Mass417.17000
SMILES[H]/N=C(/c1c([H])c([H])c(N([H])[C@@]([H])(C(=O)O[H])c2c([H])c(OC([H])([H])C([H])([H])[H])c([H])c(O[C@@]3([H])C([H])([H])OC([H])([H])C3([H])[H])c2F)c([H])c1[H])N([H])[H]
InChIInChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1
InChIKeyPGYOHIAQCFZQDK-AUUYWEPGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid (CHEBI:39834) is a aromatic ether (CHEBI:35618)
(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid (CHEBI:39834) is a carboxamidine (CHEBI:35359)
(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid (CHEBI:39834) is a monofluorobenzenes (CHEBI:83575)
(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}acetic acid (CHEBI:39834) is a tetrahydrofuryl ether (CHEBI:47814)
Synonyms  Source
(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACIDPDBeChem
(2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acidPDBeChem
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