Chem
J-GLOBAL ID：200907078885825817   Nikkaji number：J1.339.823B

4-[(3aβ,6aβ)-2,3,3-Trimethyl-4β-ethyl-5-(1,3-benzodioxole-5-ylmethyl)-6-oxooctahydropyrrolo[3,4-c]pyrrole-1α-yl]benzamidine

4-[(3aβ,6aβ)-2,3,3-トリメチル-4β-エチル-5-(1,3-ベンゾジオキソール-5-イルメチル)-6-オキソオクタヒドロピロロ[3,4-c]ピロール-1α-イル]ベンズアミジン
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： C26H32N4O3
Molecular formula furigana： C26-H32-N4-O3
Molecular weight： 448.567
InChI： InChI=1S/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18-,21+,22-,23+/m1/s1
InChI key： HQVPEQYGMUJQHM-MSYGRNIXSA-N
SMILES： CC[C@@H]1[C@@H]2[C@@H]([C@@H](N(C)C2(C)C)c2ccc(cc2)C(=N)N)C(=O)N1Cc1ccc2OCOc2c1
Systematic name  (4)：
  • 4-[(3aβ,6aβ)-2,3,3-トリメチル-4β-エチル-5-(1,3-ベンゾジオキソール-5-イルメチル)-6-オキソオクタヒドロピロロ[3,4-c]ピロール-1α-イル]ベンズアミジン
  • (3R)-3-[4-(アミノイミノメチル)フェニル]-5-(1,3-ベンゾジオキソール-5-イルメチル)-6α-エチル-1,1,2-トリメチル-1,2,3,3aα,4,5,6,6aα-オクタヒドロ-2,5-ジアザペンタレン-4-オン
  • 4-[(1R,3aS,4R,6aS)-5-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-4-エチル-2,3,3-トリメチル-6-オキソ-オクタヒドロピロロ[3,4-c]ピロール-1-イル]ベンゼン-1-カルボキシミドアミド
  • 4-[(1R,3aS,4R,6aS)-5-[(2H-1,3-benzodioxol-5-yl)methyl]-4-ethyl-2,3,3-trimethyl-6-oxo-octahydropyrrolo[3,4-c]pyrrol-1-yl]benzene-1-carboximidamide
Other name (2)：
  • 4-[(3aβ,6aβ)-2,3,3-Trimethyl-4β-ethyl-5-(1,3-benzodioxole-5-ylmethyl)-6-oxooctahydropyrrolo[3,4-c]pyrrole-1α-yl]benzamidine
  • (3R)-3-[4-(Aminoiminomethyl)phenyl]-5-(1,3-benzodioxole-5-ylmethyl)-6α-ethyl-1,1,2-trimethyl-1,2,3,3aα,4,5,6,6aα-octahydro-2,5-diazapentalene-4-one
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