Chem
J-GLOBAL ID:200907001237670791   Nikkaji number:J2.444.580A

3-[2-(2-Methyl-5-nitro-1H-imidazole-1-yl)ethyl[3-(3-phenylpropylaminomethyl)benzoyl]aminomethyl]benzoic acid

3-[2-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)エチル[3-(3-フェニルプロピルアミノメチル)ベンゾイル]アミノメチル]安息香酸
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: C31H33N4[N+]O4[O-]
Molecular formula furigana: C31-H33-N5-O5
Molecular weight: 555.635
InChI: InChI=1S/C31H33N5O5/c1-23-33-21-29(36(40)41)35(23)17-16-34(22-26-11-6-14-28(19-26)31(38)39)30(37)27-13-5-10-25(18-27)20-32-15-7-12-24-8-3-2-4-9-24/h2-6,8-11,13-14,18-19,21,32H,7,12,15-17,20,22H2,1H3,(H,38,39)
InChI key: UVZKSWGEZYAUMT-UHFFFAOYSA-N
SMILES: Cc1ncc(n1CCN(Cc1cccc(c1)C(=O)O)C(=O)c1cccc(CNCCCc2ccccc2)c1)[N+](=O)[O-]
Systematic name  (3):
  • 3-[2-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)エチル[3-(3-フェニルプロピルアミノメチル)ベンゾイル]アミノメチル]安息香酸
  • 3-({N-[2-(2-メチル-5-ニトロ-1H-イミダゾール-1-イル)エチル]-1-(3-{[(3-フェニルプロピル)アミノ]メチル}フェニル)ホルムアミド}メチル)安息香酸
  • 3-({N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1-(3-{[(3-phenylpropyl)amino]methyl}phenyl)formamido}methyl)benzoic acid
Other name (1):
  • 3-[2-(2-Methyl-5-nitro-1H-imidazole-1-yl)ethyl[3-(3-phenylpropylaminomethyl)benzoyl]aminomethyl]benzoic acid
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