Chem
J-GLOBAL ID：200907058929993444   Nikkaji number：J2.738.372F

WAY-213613

N4-[4-(2-ブロモ-4,5-ジフルオロフェノキシ)フェニル]アスパラギン
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： C16H13BrF2N2O4
Molecular formula furigana： C16-H13-BR-F2-N2-O4
Molecular weight： 415.191
InChI： InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1
InChI key： BNYDDAAZMBUFRG-ZDUSSCGKSA-N
SMILES： N[C@@H](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(=O)O
Systematic name  (3)：
  • N4-[4-(2-ブロモ-4,5-ジフルオロフェノキシ)フェニル]アスパラギン
  • (2S)-2-アミノ-3-{[4-(2-ブロモ-4,5-ジフルオロフェノキシ)フェニル]カルバモイル}プロパン酸
  • (2S)-2-amino-3-{[4-(2-bromo-4,5-difluorophenoxy)phenyl]carbamoyl}propanoic acid
Other name (2)：
  • N4-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]asparagine
  • WAY-213613
Thsaurus map：
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