Chem
J-GLOBAL ID：200907007131834378   Nikkaji number：J1.688.178C

(S)-2-Amino-N-[(3S,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide

(S)-2-アミノ-N-[(3S,4R,4aR,5R,6R)-3,4,4a,5,6,7-ヘキサヒドロ-5,6,8-トリヒドロキシ-3-メチル-1-オキソ-1H-2-ベンゾピラン-4-イル]プロパンアミド
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： C13H20N2O6
Molecular formula furigana： C13-H20-N2-O6
Molecular weight： 300.311
InChI： InChI=1S/C13H20N2O6/c1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10/h4-5,7,9-11,16-18H,3,14H2,1-2H3,(H,15,19)/t4-,5-,7+,9+,10-,11-/m0/s1
InChI key： PQVQBAAWCOTEBG-QIHZKCPZSA-N
SMILES： C[C@H](N)C(=O)N[C@H]1[C@H](C)OC(=O)C2=C(O)C[C@@H](O)[C@H](O)[C@@H]12
Systematic name  (3)：
  • (S)-2-アミノ-N-[(3S,4R,4aR,5R,6R)-3,4,4a,5,6,7-ヘキサヒドロ-5,6,8-トリヒドロキシ-3-メチル-1-オキソ-1H-2-ベンゾピラン-4-イル]プロパンアミド
  • (2S)-N-[(3S,4R,4aR,5R,6R)-5,6,8-トリヒドロキシ-3-メチル-1-オキソ-3,4,4a,5,6,7-ヘキサヒドロ-1H-2-ベンゾピラン-4-イル]-2-アミノプロパンアミド
  • (2S)-N-[(3S,4R,4aR,5R,6R)-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-4-yl]-2-aminopropanamide
Other name (1)：
  • (S)-2-Amino-N-[(3S,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide
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