Chem
J-GLOBAL ID：200907069812835009   Nikkaji number：J1.761.690K

(4S)-α,α-Dimethyl-1-(methoxycarbonyl)-3-[[(3aα,6aα)-6β-hydroxy-6-benzyloctahydrocyclopenta[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-ベンジ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： C27H34N2O6
Molecular formula furigana： C27-H34-N2-O6
Molecular weight： 482.577
InChI： InChI=1S/C27H34N2O6/c1-26(2,24(31)34-3)21-12-14-28(25(32)35-4)17-20(21)23(30)29-15-11-19-10-13-27(33,22(19)29)16-18-8-6-5-7-9-18/h5-9,12,14,17,19,21-22,33H,10-11,13,15-16H2,1-4H3/t19-,21+,22+,27+/m1/s1
InChI key： BCMBJCMGEHKAFI-JZWGJFHDSA-N
SMILES： COC(=O)N1C=C[C@@H](C(=C1)C(=O)N1CC[C@H]2CC[C@](O)(Cc3ccccc3)[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-ベンジ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,6S,6aS)-6-ベンジル-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,6S,6aS)-6-benzyl-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-hydroxy-6-benzyloctahydrocyclopenta[b]pyrrole-1-yl]carbonyl]-1,4-dihydropyridine-4β-acetic acid methyl ester
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