Chem
J-GLOBAL ID：201007026596664261   Nikkaji number：J2.801.783I

N-[(2S,3S)-2-Methyl-3-[(4-nitrophenyl)amino]-3-(2-bromophenyl)propyl]carbamic acid benzyl ester

N-[(2S,3S)-2-メチル-3-[(4-ニトロフェニル)アミノ]-3-(2-ブロモフェニル)プロピル]カルバミド酸ベンジル
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： C24H24BrN2[N+]O3[O-]
Molecular formula furigana： C24-H24-BR-N3-O4
Molecular weight： 498.377
InChI： InChI=1S/C24H24BrN3O4/c1-17(15-26-24(29)32-16-18-7-3-2-4-8-18)23(21-9-5-6-10-22(21)25)27-19-11-13-20(14-12-19)28(30)31/h2-14,17,23,27H,15-16H2,1H3,(H,26,29)/t17-,23-/m0/s1
InChI key： IBWLGYZONOYOCK-SBUREZEXSA-N
SMILES： C[C@@H](CNC(=O)OCc1ccccc1)[C@H](Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1Br
Systematic name  (3)：
  • N-[(2S,3S)-2-メチル-3-[(4-ニトロフェニル)アミノ]-3-(2-ブロモフェニル)プロピル]カルバミド酸ベンジル
  • ベンジル N-[(2S,3S)-3-(2-ブロモフェニル)-2-メチル-3-[(4-ニトロフェニル)アミノ]プロピル]カルバマート
  • benzyl N-[(2S,3S)-3-(2-bromophenyl)-2-methyl-3-[(4-nitrophenyl)amino]propyl]carbamate
Other name (1)：
  • N-[(2S,3S)-2-Methyl-3-[(4-nitrophenyl)amino]-3-(2-bromophenyl)propyl]carbamic acid benzyl ester
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