Chem
J-GLOBAL ID：201007038248556208   Nikkaji number：J2.801.777D

N-[(2S,3R)-2,3-Bis[(4-nitrophenyl)amino]pentyl]carbamic acid benzyl ester

N-[(2S,3R)-2,3-ビス[(4-ニトロフェニル)アミノ]ペンチル]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： C25H27N3[N+]2O4[O-]2
Molecular formula furigana： C25-H27-N5-O6
Molecular weight： 493.520
InChI： InChI=1S/C25H27N5O6/c1-2-23(27-19-8-12-21(13-9-19)29(32)33)24(28-20-10-14-22(15-11-20)30(34)35)16-26-25(31)36-17-18-6-4-3-5-7-18/h3-15,23-24,27-28H,2,16-17H2,1H3,(H,26,31)/t23-,24+/m1/s1
InChI key： UZJDLKCNAALDBT-RPWUZVMVSA-N
SMILES： CC[C@@H](Nc1ccc(cc1)[N+](=O)[O-])[C@H](CNC(=O)OCc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • N-[(2S,3R)-2,3-ビス[(4-ニトロフェニル)アミノ]ペンチル]カルバミド酸ベンジル
  • ベンジル N-[(2S,3R)-2,3-ビス[(4-ニトロフェニル)アミノ]ペンチル]カルバマート
  • benzyl N-[(2S,3R)-2,3-bis[(4-nitrophenyl)amino]pentyl]carbamate
Other name (1)：
  • N-[(2S,3R)-2,3-Bis[(4-nitrophenyl)amino]pentyl]carbamic acid benzyl ester
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