Chem
J-GLOBAL ID:201007031637336731   Nikkaji number:J2.801.782K

N-[(2S,3R)-2-Methyl-3-[(4-nitrophenyl)amino]-5-phenyl-4-pentenyl]carbamic acid benzyl ester

N-[(2S,3R)-2-メチル-3-[(4-ニトロフェニル)アミノ]-5-フェニル-4-ペンテニル]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: C26H27N2[N+]O3[O-]
Molecular formula furigana: C26-H27-N3-O4
Molecular weight: 445.519
InChI: InChI=1S/C26H27N3O4/c1-20(18-27-26(30)33-19-22-10-6-3-7-11-22)25(17-12-21-8-4-2-5-9-21)28-23-13-15-24(16-14-23)29(31)32/h2-17,20,25,28H,18-19H2,1H3,(H,27,30)/t20-,25+/m0/s1
InChI key: BMNSTCZXLCFPLA-NBGIEHNGSA-N
SMILES: C[C@@H](CNC(=O)OCc1ccccc1)[C@H](Nc1ccc(cc1)[N+](=O)[O-])C=Cc1ccccc1
Systematic name  (3):
  • N-[(2S,3R)-2-メチル-3-[(4-ニトロフェニル)アミノ]-5-フェニル-4-ペンテニル]カルバミド酸ベンジル
  • ベンジル N-[(2S,3R)-2-メチル-3-[(4-ニトロフェニル)アミノ]-5-フェニルペンタ-4-エン-1-イル]カルバマート
  • benzyl N-[(2S,3R)-2-methyl-3-[(4-nitrophenyl)amino]-5-phenylpent-4-en-1-yl]carbamate
Other name (1):
  • N-[(2S,3R)-2-Methyl-3-[(4-nitrophenyl)amino]-5-phenyl-4-pentenyl]carbamic acid benzyl ester
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