Chem
J-GLOBAL ID:200907038995524268   Nikkaji number:J1.640.393H

N-(3,5-Dinitrobenzoyl)-L-leucine β-oxo-4-bromophenethyl ester

N-(3,5-ジニトロベンゾイル)-L-ロイシンβ-オキソ-4-ブロモフェネチル
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: C21H20BrN[N+]2O6[O-]2
Molecular formula furigana: C21-H20-BR-N3-O8
Molecular weight: 522.308
InChI: InChI=1S/C21H20BrN3O8/c1-12(2)7-18(21(28)33-11-19(26)13-3-5-15(22)6-4-13)23-20(27)14-8-16(24(29)30)10-17(9-14)25(31)32/h3-6,8-10,12,18H,7,11H2,1-2H3,(H,23,27)/t18-/m0/s1
InChI key: ZWCOPKNIQAQDTN-SFHVURJKSA-N
SMILES: CC(C)C[C@H](NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(=O)c1ccc(Br)cc1
Systematic name  (4):
  • (S)-N-(3,5-ジニトロベンゾイル)-L-ロイシンβ-オキソ-4-ブロモフェネチル
  • N-(3,5-ジニトロベンゾイル)-L-ロイシンβ-オキソ-4-ブロモフェネチル
  • 2-(4-ブロモフェニル)-2-オキソエチル (2S)-2-[(3,5-ジニトロフェニル)ホルムアミド]-4-メチルペンタノアート
  • 2-(4-bromophenyl)-2-oxoethyl (2S)-2-[(3,5-dinitrophenyl)formamido]-4-methylpentanoate
Other name (2):
  • (S)-N-(3,5-Dinitrobenzoyl)-L-leucine β-oxo-4-bromophenethyl ester
  • N-(3,5-Dinitrobenzoyl)-L-leucine β-oxo-4-bromophenethyl ester
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