Chem
J-GLOBAL ID：200907013632598704   Nikkaji number：J2.683.972F

Amicoumacin A

アミクマシンA
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： C20H29N3O7
Molecular formula furigana： C20-H29-N3-O7
Molecular weight： 423.466
InChI： InChI=1S/C20H29N3O7/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)14-7-10-4-3-5-13(24)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,25)(H,23,28)/t11-,12-,14-,17-,18-/m0/s1
InChI key： DCPWYLSPIAHJFU-YKRRISCLSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(=O)N)[C@@H]1Cc2cccc(O)c2C(=O)O1
Systematic name  (4)：
  • (3S)-3α-[(S)-1-[[(2S,3S,4S)-1,6-ジオキソ-2,3-ジヒドロキシ-4,6-ジアミノヘキシル]アミノ]-3-メチルブチル]-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-1-オン
  • (2S,3S,4S)-N-[(S)-1-[(3S)-1-オキソ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-3α-イル]-3-メチルブチル]-2,3-ジヒドロキシ-4-アミノヘキサンジアミド
  • (2S,3S,4S)-4-アミノ-2,3-ジヒドロキシ-N-[(1S)-1-[(3S)-8-ヒドロキシ-1-オキソ-3,4-ジヒドロ-1H-2-ベンゾピラン-3-イル]-3-メチルブチル]ヘキサンジアミド
  • (2S,3S,4S)-4-amino-2,3-dihydroxy-N-[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-3-methylbutyl]hexanediamide
Other name (4)：
  • (3S)-3α-[(S)-1-[[(2S,3S,4S)-1,6-Dioxo-2,3-dihydroxy-4,6-diaminohexyl]amino]-3-methylbutyl]-8-hydroxy-3,4-dihydro-1H-2-benzopyran-1-one
  • (2S,3S,4S)-N-[(S)-1-[(3S)-1-Oxo-8-hydroxy-3,4-dihydro-1H-2-benzopyran-3α-yl]-3-methylbutyl]-2,3-dihydroxy-4-aminohexanediamide
  • アミクマシンA
  • Amicoumacin A
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