CHEBI:39916 - (S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}

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ChEBI Name (S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
ChEBI ID CHEBI:39916
ChEBI ASCII Name (S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
Definition A substituted diphenylfuran in which two amino[(1-methylbutyl)amino]methyl substituents are located at the two para-positions on the phenyl rings.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000058638393
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Formula C28H40N4O
Net Charge 0
Average Mass 448.64356
Monoisotopic Mass 448.32021
InChI InChI=1S/C28H40N4O/c1-5-7-19(3)31-27(29)23-13-9-21(10-14-23)25-17-18-26(33-25)22-11-15-24(16-12-22)28(30)32-20(4)8-6-2/h9-20,27-28,31-32H,5-8,29-30H2,1-4H3/t19-,20-,27+,28+/m1/s1
InChIKey AWOSZNMNWGRQCU-SJWRPRNESA-N
SMILES CCC[C@@H](C)N[C@H](N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)[C@@H](N)N[C@H](C)CCC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine} (CHEBI:39916) has parent hydride 2,5-diphenylfuran (CHEBI:50459)
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine} (CHEBI:39916) is a aminal (CHEBI:35412)
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine} (CHEBI:39916) is a substituted diphenylfuran (CHEBI:50460)
IUPAC Name
(S,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis{N-[(1R)-1-methylbutyl]methanediamine}
Synonym Source
2,5-BIS{[4-(2-PENTYL)DIAMINOMETHYL]PHENYL}FURAN PDBeChem
Manual Xref Database
3AF PDBeChem
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Last Modified
16 April 2012