Chem
J-GLOBAL ID：200907081784851192   Nikkaji number：J1.761.686B

(4S)-α,α-Dimethyl-1-(methoxycarbonyl)-3-[[(3aα,6aα)-6β-hydroxyoctahydrocyclopenta[b]pyrrole-1-yl]carbonyl]-1,4-dihydropyridine-4β-acetic acid methyl ester

(4S)-α,α-ジメチル-1-(メトキシカルボニル)-3-[[(3aα,6aα)-6β-ヒドロキシオクタヒドロシクロペンタ[b]ピロール-1-イル]カルボニル]-1,4-ジヒドロピリジン-4β-酢酸メチル
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： C20H28N2O6
Molecular formula furigana： C20-H28-N2-O6
Molecular weight： 392.452
InChI： InChI=1S/C20H28N2O6/c1-20(2,18(25)27-3)14-8-9-21(19(26)28-4)11-13(14)17(24)22-10-7-12-5-6-15(23)16(12)22/h8-9,11-12,14-16,23H,5-7,10H2,1-4H3/t12-,14+,15-,16+/m1/s1
InChI key： PQCHQNWCXLTFMZ-BVUBDWEXSA-N
SMILES： COC(=O)N1C=C[C@@H](C(=C1)C(=O)N1CC[C@H]2CC[C@@H](O)[C@@H]12)C(C)(C)C(=O)OC
Systematic name  (3)：
  • (4S)-α,α-ジメチル-1-(メトキシカルボニル)-3-[[(3aα,6aα)-6β-ヒドロキシオクタヒドロシクロペンタ[b]ピロール-1-イル]カルボニル]-1,4-ジヒドロピリジン-4β-酢酸メチル
  • メチル (4S)-3-[(3aR,6R,6aS)-6-ヒドロキシ-オクタヒドロシクロペンタ[b]ピロール-1-カルボニル]-4-(1-メトキシ-2-メチル-1-オキソプロパン-2-イル)-1,4-ジヒドロピリジン-1-カルボキシラート
  • methyl (4S)-3-[(3aR,6R,6aS)-6-hydroxy-octahydrocyclopenta[b]pyrrole-1-carbonyl]-4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,4-dihydropyridine-1-carboxylate
Other name (1)：
  • (4S)-α,α-Dimethyl-1-(methoxycarbonyl)-3-[[(3aα,6aα)-6β-hydroxyoctahydrocyclopenta[b]pyrrole-1-yl]carbonyl]-1,4-dihydropyridine-4β-acetic acid methyl ester
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