Chem
J-GLOBAL ID:200907048931329882   Nikkaji number:J899.759D

1,1′′-Trimethylenebis[1′-[2-[[(R)-1-phenylethyl]amino]-2-oxoethyl]-4,4′-bipyridinium]

1,1′′-トリメチレンビス[1′-[2-[[(R)-α-メチルベンジル]アミノ]-2-オキソエチル]-4,4′-ビピリジニウム]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C43H46N2[N+]4O2
Molecular formula furigana: C43-H46-N6-O2
Molecular weight: 678.879
InChI: InChI=1S/C43H44N6O2/c1-34(36-10-5-3-6-11-36)44-42(50)32-48-28-18-40(19-29-48)38-14-24-46(25-15-38)22-9-23-47-26-16-39(17-27-47)41-20-30-49(31-21-41)33-43(51)45-35(2)37-12-7-4-8-13-37/h3-8,10-21,24-31,34-35H,9,22-23,32-33H2,1-2H3/q+2/p+2/t34-,35-/m1/s1
InChI key: WEVQAALANZHBLL-VSJLXWSYSA-P
SMILES: C[C@@H](NC(=O)C[n+]1ccc(cc1)c1cc[n+](CCC[n+]2ccc(cc2)c2cc[n+](CC(=O)N[C@H](C)c3ccccc3)cc2)cc1)c1ccccc1
Systematic name  (4):
  • 1,1′′-トリメチレンビス[1′-[2-[[(R)-1-フェニルエチル]アミノ]-2-オキソエチル]-4,4′-ビピリジニウム]
  • 1,1′′-トリメチレンビス[1′-[2-[[(R)-α-メチルベンジル]アミノ]-2-オキソエチル]-4,4′-ビピリジニウム]
  • 1'-({[(1R)-1-フェニルエチル]カルバモイル}メチル)-1-{3-[1'-({[(1R)-1-フェニルエチル]カルバモイル}メチル)-[4,4'-ビピリジン]-1,1'-ジイウム-1-イル]プロピル}-[4,4'-ビピリジン]-1,1'-ジイウム
  • 1'-({[(1R)-1-phenylethyl]carbamoyl}methyl)-1-{3-[1'-({[(1R)-1-phenylethyl]carbamoyl}methyl)-[4,4'-bipyridine]-1,1'-diium-1-yl]propyl}-[4,4'-bipyridine]-1,1'-diium
Other name (2):
  • 1,1′′-Trimethylenebis[1′-[2-[[(R)-1-phenylethyl]amino]-2-oxoethyl]-4,4′-bipyridinium]
  • 1,1′′-Trimethylenebis[1′-[2-[[(R)-α-methylbenzyl]amino]-2-oxoethyl]-4,4′-bipyridinium]
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