Chem
J-GLOBAL ID:200907022207517929   Nikkaji number:J611.597G

N,N′-(1,2-Dioxo-1,2-ethanediyl)bis(4-nitro-L-phenylalanine isobutyl) ester

N,N′-(1,2-ジオキソ-1,2-エタンジイル)ビス(4-ニトロ-L-フェニルアラニンイソブチル)
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: C28H34N2[N+]2O8[O-]2
Molecular formula furigana: C28-H34-N4-O10
Molecular weight: 586.598
InChI: InChI=1S/C28H34N4O10/c1-17(2)15-41-27(35)23(13-19-5-9-21(10-6-19)31(37)38)29-25(33)26(34)30-24(28(36)42-16-18(3)4)14-20-7-11-22(12-8-20)32(39)40/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,29,33)(H,30,34)/t23-,24-/m0/s1
InChI key: IFWXZMGAPFLRMQ-ZEQRLZLVSA-N
SMILES: CC(C)COC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)C(=O)N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)OCC(C)C
Systematic name  (3):
  • N,N′-(1,2-ジオキソ-1,2-エタンジイル)ビス(4-ニトロ-L-フェニルアラニンイソブチル)
  • 2-メチルプロピル (2S)-2-({[(2S)-1-(2-メチルプロポキシ)-3-(4-ニトロフェニル)-1-オキソプロパン-2-イル]カルバモイル}ホルムアミド)-3-(4-ニトロフェニル)プロパノアート
  • 2-methylpropyl (2S)-2-({[(2S)-1-(2-methylpropoxy)-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamoyl}formamido)-3-(4-nitrophenyl)propanoate
Other name (1):
  • N,N′-(1,2-Dioxo-1,2-ethanediyl)bis(4-nitro-L-phenylalanine isobutyl) ester
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