Chem
J-GLOBAL ID:200907077209700223   Nikkaji number:J1.422.767I

1,7-Bis[4-(4-guanidinobenzylcarbamoyl)piperazino]-1,7-heptanedione

1,7-ビス[4-(4-グアニジノベンジルカルバモイル)ピペラジノ]-1,7-ヘプタンジオン
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: C33H48N12O4
Molecular formula furigana: C33-H48-N12-O4
Molecular weight: 676.827
InChI: InChI=1S/C33H48N12O4/c34-30(35)40-26-10-6-24(7-11-26)22-38-32(48)44-18-14-42(15-19-44)28(46)4-2-1-3-5-29(47)43-16-20-45(21-17-43)33(49)39-23-25-8-12-27(13-9-25)41-31(36)37/h6-13H,1-5,14-23H2,(H,38,48)(H,39,49)(H4,34,35,40)(H4,36,37,41)
InChI key: GVMXAPWPASJXDG-UHFFFAOYSA-N
SMILES: NC(=N)Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)CCCCCC(=O)N2CCN(CC2)C(=O)NCc2ccc(NC(=N)N)cc2)cc1
Systematic name  (3):
  • 1,7-ビス[4-(4-グアニジノベンジルカルバモイル)ピペラジノ]-1,7-ヘプタンジオン
  • N-[(4-カルバムイミドアミドフェニル)メチル]-4-[7-(4-{[(4-カルバムイミドアミドフェニル)メチル]カルバモイル}ピペラジン-1-イル)-7-オキソヘプタノイル]ピペラジン-1-カルボキサミド
  • N-[(4-carbamimidamidophenyl)methyl]-4-[7-(4-{[(4-carbamimidamidophenyl)methyl]carbamoyl}piperazin-1-yl)-7-oxoheptanoyl]piperazine-1-carboxamide
Other name (1):
  • 1,7-Bis[4-(4-guanidinobenzylcarbamoyl)piperazino]-1,7-heptanedione
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