Chem
J-GLOBAL ID：200907023899173732   Nikkaji number：J2.007.597J

(3S)-3-(Benzyloxy)-L-aspartic acid 1-(2-oxo-7-hydroxy-2H-1-benzopyran-4-ylmethyl) ester

(3S)-3-(ベンジルオキシ)-L-アスパラギン酸1-(2-オキソ-7-ヒドロキシ-2H-1-ベンゾピラン-4-イルメチル)
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： C21H19NO8
Molecular formula furigana： C21-H19-N-O8
Molecular weight： 413.382
InChI： InChI=1S/C21H19NO8/c22-18(19(20(25)26)28-10-12-4-2-1-3-5-12)21(27)29-11-13-8-17(24)30-16-9-14(23)6-7-15(13)16/h1-9,18-19,23H,10-11,22H2,(H,25,26)/t18-,19-/m0/s1
InChI key： KKAXRJXBIFKXPQ-OALUTQOASA-N
SMILES： N[C@@H]([C@H](OCc1ccccc1)C(=O)O)C(=O)OCc1cc(=O)oc2cc(O)ccc12
Systematic name  (3)：
  • (3S)-3-(ベンジルオキシ)-L-アスパラギン酸1-(2-オキソ-7-ヒドロキシ-2H-1-ベンゾピラン-4-イルメチル)
  • (2S,3S)-3-アミノ-2-(ベンジルオキシ)-4-[(7-ヒドロキシ-2-オキソ-2H-クロメン-4-イル)メトキシ]-4-オキソブタン酸
  • (2S,3S)-3-amino-2-(benzyloxy)-4-[(7-hydroxy-2-oxo-2H-chromen-4-yl)methoxy]-4-oxobutanoic acid
Other name (1)：
  • (3S)-3-(Benzyloxy)-L-aspartic acid 1-(2-oxo-7-hydroxy-2H-1-benzopyran-4-ylmethyl) ester
Thsaurus map：
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