Chem
J-GLOBAL ID：200907067020094343   Nikkaji number：J1.688.175I

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

(3R,4R,4aR,5R,6R)-4-[(2S)-2-アミノプロパンアミド]-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-3-カルボン酸
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： C14H20N2O8
Molecular formula furigana： C14-H20-N2-O8
Molecular weight： 344.320
InChI： InChI=1S/C14H20N2O8/c1-4(15)11(20)16-10-8-7(5(17)3-6(18)9(8)19)12(21)24-14(10,2)13(22)23/h4,6,8-10,17-19H,3,15H2,1-2H3,(H,16,20)(H,22,23)/t4-,6+,8-,9-,10+,14+/m0/s1
InChI key： XJMUTLLBDYISOR-PXAOWTGKSA-N
SMILES： C[C@H](N)C(=O)N[C@@H]1[C@@H]2[C@@H](O)[C@H](O)CC(=C2C(=O)O[C@@]1(C)C(=O)O)O
Systematic name  (3)：
  • (S)-2-アミノ-N-[(3R,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-カルボキシ-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
  • (3R,4R,4aR,5R,6R)-4-[(2S)-2-アミノプロパンアミド]-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-3-カルボン酸
  • (3R,4R,4aR,5R,6R)-4-[(2S)-2-aminopropanamido]-5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydro-1H-2-benzopyran-3-carboxylic acid
Other name (1)：
  • (S)-2-Amino-N-[(3R,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-carboxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide
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