Chem
J-GLOBAL ID：201007053812169790   Nikkaji number：J2.801.780D

N-[(2S,3S)-2-Methyl-3-[(4-nitrophenyl)amino]-3-(4-methoxyphenyl)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-(4-メトキシフェニル)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： C25H27N2[N+]O4[O-]
Molecular formula furigana： C25-H27-N3-O5
Molecular weight： 449.507
InChI： InChI=1S/C25H27N3O5/c1-18(16-26-25(29)33-17-19-6-4-3-5-7-19)24(20-8-14-23(32-2)15-9-20)27-21-10-12-22(13-11-21)28(30)31/h3-15,18,24,27H,16-17H2,1-2H3,(H,26,29)/t18-,24-/m0/s1
InChI key： SXRYJNZPHFTJNI-UUOWRZLLSA-N
SMILES： COc1ccc(cc1)[C@@H](Nc1ccc(cc1)[N+](=O)[O-])[C@@H](C)CNC(=O)OCc1ccccc1
Systematic name  (3)：
  • N-[(2S,3S)-2-メチル-3-[(4-ニトロフェニル)アミノ]-3-(4-メトキシフェニル)プロピル]カルバミド酸ベンジル
  • ベンジル N-[(2S,3S)-3-(4-メトキシフェニル)-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-(4-methoxyphenyl)-2-methyl-3-[(4-nitrophenyl)amino]propyl]carbamate
Other name (1)：
  • N-[(2S,3S)-2-Methyl-3-[(4-nitrophenyl)amino]-3-(4-methoxyphenyl)propyl]carbamic acid benzyl ester
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