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CHEBI:147295 - 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+)

ChEBI IDCHEBI:147295
ChEBI Name3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+)
Stars
ASCII Name3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+)
DefinitionAn ammonium ion derivative that is the conjugate acid of 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide, obtained by the protonation of the two pyrrolidine moieties. It is the major microspecies at pH 7.3.
Last Modified19 May 2020
SubmitterAdnan
DownloadsMolfile
FormulaC33H32F3N3O3
Net Charge+2
Average Mass575.631
Monoisotopic Mass575.23848
SMILESO=C(Nc1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C33H30F3N3O3/c34-23-5-1-20(2-6-23)28-17-24(7-10-32(28)42-26-12-14-38-19-26)39-33(40)22-4-9-31(41-25-11-13-37-18-25)27(15-22)21-3-8-29(35)30(36)16-21/h1-10,15-17,25-26,37-38H,11-14,18-19H2,(H,39,40)/p+2/t25-,26-/m0/s1
InChIKeySWJCFZKBYJYTCH-UIOOFZCWSA-P
ChEBI Ontology
Outgoing Relation(s)
3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+) (CHEBI:147295) is a ammonium ion derivative (CHEBI:35274)
3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+) (CHEBI:147295) is conjugate acid of 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide (CHEBI:147294)
Incoming Relation(s)
(3S)-3-{[3',4'-difluoro-5-({4'-fluoro-6-[(3S)-pyrrolidinium-3-yloxy][biphenyl]-3-yl}carbamoyl)[biphenyl]-2-yl]oxy}pyrrolidinium dichloride (CHEBI:146308) has part 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+) (CHEBI:147295)
3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide (CHEBI:147294) is conjugate base of 3',4'-difluoro-N-{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide(2+) (CHEBI:147295)
IUPAC Name 
(3S)-3-{[3',4'-difluoro-5-({4'-fluoro-6-[(3S)-pyrrolidinium-3-yloxy][biphenyl]-3-yl}carbamoyl)[biphenyl]-2-yl]oxy}pyrrolidinium
Synonym  Source
(3S)-3-({3',4'-difluoro-5-[(4'-fluoro-6-{[(3S)-pyrrolidin-1-ium-3-yl]oxy}[1,1'-biphenyl]-3-yl)carbamoyl][1,1'-biphenyl]-2-yl}oxy)pyrrolidin-1-iumIUPAC