Chem
J-GLOBAL ID：200907015193620415   Nikkaji number：J1.688.176G

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

(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-(クロロメチル)-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： C14H21ClN2O6
Molecular formula furigana： C14-H21-CL-N2-O6
Molecular weight： 348.780
InChI： InChI=1S/C14H21ClN2O6/c1-5(16)12(21)17-11-9-8(6(18)3-7(19)10(9)20)13(22)23-14(11,2)4-15/h5,7,9-11,18-20H,3-4,16H2,1-2H3,(H,17,21)/t5-,7+,9-,10-,11+,14-/m0/s1
InChI key： RHYUPGRBTLIYNP-BYEJAMIFSA-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)CCl)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-(クロロメチル)-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-[(3R,4R,4aR,5R,6R)-3-(クロロメチル)-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-[(3R,4R,4aR,5R,6R)-3-(chloromethyl)-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-[(3R,4R,4aR,5R,6R)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-(chloromethyl)-3-methyl-1-oxo-1H-2-benzopyran-4-yl]propanamide
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