Chem
J-GLOBAL ID：200907002064647663   Nikkaji number：J1.761.688I

(4S)-α,α-Dimethyl-1-(methoxycarbonyl)-3-[[(3aα,6aα)-6β-hydroxy-6-methyloctahydrocyclopenta[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-6-メチル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： C21H30N2O6
Molecular formula furigana： C21-H30-N2-O6
Molecular weight： 406.479
InChI： InChI=1S/C21H30N2O6/c1-20(2,18(25)28-4)15-8-10-22(19(26)29-5)12-14(15)17(24)23-11-7-13-6-9-21(3,27)16(13)23/h8,10,12-13,15-16,27H,6-7,9,11H2,1-5H3/t13-,15+,16+,21-/m1/s1
InChI key： ZKEUIXPIBXLMGI-CDSQMECRSA-N
SMILES： COC(=O)N1C=C[C@@H](C(=C1)C(=O)N1CC[C@H]2CC[C@@](C)(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-6-メチル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-6-メチル-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-6-methyl-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-hydroxy-6-methyloctahydrocyclopenta[b]pyrrole-1-yl]carbonyl]-1,4-dihydropyridine-4β-acetic acid methyl ester
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