Chem
J-GLOBAL ID：200907078265329860   Nikkaji number：J1.152.847C

(2S)-2-(3,5-Dinitrobenzoylamino)-3-(4-bromophenyl)propionic acid isopropyl ester

(2S)-2-(3,5-ジニトロベンゾイルアミノ)-3-(4-ブロモフェニル)プロピオン酸イソプロピル
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： C19H18BrN[N+]2O5[O-]2
Molecular formula furigana： C19-H18-BR-N3-O7
Molecular weight： 480.271
InChI： InChI=1S/C19H18BrN3O7/c1-11(2)30-19(25)17(7-12-3-5-14(20)6-4-12)21-18(24)13-8-15(22(26)27)10-16(9-13)23(28)29/h3-6,8-11,17H,7H2,1-2H3,(H,21,24)/t17-/m0/s1
InChI key： HKQVANRNCKBNGG-KRWDZBQOSA-N
SMILES： CC(C)OC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3)：
  • (2S)-2-(3,5-ジニトロベンゾイルアミノ)-3-(4-ブロモフェニル)プロピオン酸イソプロピル
  • プロパン-2-イル (2S)-3-(4-ブロモフェニル)-2-[(3,5-ジニトロフェニル)ホルムアミド]プロパノアート
  • propan-2-yl (2S)-3-(4-bromophenyl)-2-[(3,5-dinitrophenyl)formamido]propanoate
Other name (1)：
  • (2S)-2-(3,5-Dinitrobenzoylamino)-3-(4-bromophenyl)propionic acid isopropyl ester
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