Chem
J-GLOBAL ID:200907051719008430   Nikkaji number:J1.404.869C

1-(9-Anthryl)-7-benzyl-11-[4-[α-(1-oxo-4-pentenylamino)-2,4-dimethoxybenzyl]phenoxy]-4,7-diazaundecane-8-one

1-(9-アントリル)-7-ベンジル-11-[4-[α-(1-オキソ-4-ペンテニルアミノ)-2,4-ジメトキシベンジル]フェノキシ]-4,7-ジアザウンデカン-8-オン
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: C50H55N3O5
Molecular formula furigana: C50-H55-N3-O5
Molecular weight: 778.006
InChI: InChI=1S/C50H55N3O5/c1-4-5-22-48(54)52-50(46-29-28-42(56-2)35-47(46)57-3)38-24-26-41(27-25-38)58-33-14-23-49(55)53(36-37-15-7-6-8-16-37)32-31-51-30-13-21-45-43-19-11-9-17-39(43)34-40-18-10-12-20-44(40)45/h4,6-12,15-20,24-29,34-35,50-51H,1,5,13-14,21-23,30-33,36H2,2-3H3,(H,52,54)
InChI key: RKGQNBLTIDKPDZ-UHFFFAOYSA-N
SMILES: COc1ccc(C(NC(=O)CCC=C)c2ccc(OCCCC(=O)N(CCNCCCc3c4ccccc4cc4ccccc34)Cc3ccccc3)cc2)c(OC)c1
Systematic name  (3):
  • 1-(9-アントリル)-7-ベンジル-11-[4-[α-(1-オキソ-4-ペンテニルアミノ)-2,4-ジメトキシベンジル]フェノキシ]-4,7-ジアザウンデカン-8-オン
  • N-[(4-{3-[(2-{[3-(アントラセン-9-イル)プロピル]アミノ}エチル)(ベンジル)カルバモイル]プロポキシ}フェニル)(2,4-ジメトキシフェニル)メチル]ペンタ-4-エンアミド
  • N-[(4-{3-[(2-{[3-(anthracen-9-yl)propyl]amino}ethyl)(benzyl)carbamoyl]propoxy}phenyl)(2,4-dimethoxyphenyl)methyl]pent-4-enamide
Other name (1):
  • 1-(9-Anthryl)-7-benzyl-11-[4-[α-(1-oxo-4-pentenylamino)-2,4-dimethoxybenzyl]phenoxy]-4,7-diazaundecane-8-one
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