Chem
J-GLOBAL ID：200907096455269129   Nikkaji number：J924.538C

N-[(4α-Aminocyclohexan-1β-yl)methyl]-1-[(βS)-β,4-dihydroxy-3-methoxy-α-oxophenethyl]-L-prolinamide

N-[(4α-アミノシクロヘキサン-1β-イル)メチル]-1-[(βS)-β,4-ジヒドロキシ-3-メトキシ-α-オキソフェネチル]-L-プロリンアミド
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： C21H31N3O5
Molecular formula furigana： C21-H31-N3-O5
Molecular weight： 405.495
InChI： InChI=1S/C21H31N3O5/c1-29-18-11-14(6-9-17(18)25)19(26)21(28)24-10-2-3-16(24)20(27)23-12-13-4-7-15(22)8-5-13/h6,9,11,13,15-16,19,25-26H,2-5,7-8,10,12,22H2,1H3,(H,23,27)/t13-,15-,16-,19-/m0/s1
InChI key： OCDWWDXGOPSTGL-FJXLLPKBSA-N
SMILES： COc1cc(ccc1O)[C@H](O)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1
Systematic name  (3)：
  • N-[(4α-アミノシクロヘキサン-1β-イル)メチル]-1-[(βS)-β,4-ジヒドロキシ-3-メトキシ-α-オキソフェネチル]-L-プロリンアミド
  • (2S)-1-[(2S)-2-ヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)アセチル]-N-{[(1r,4r)-4-アミノシクロヘキシル]メチル}ピロリジン-2-カルボキサミド
  • (2S)-1-[(2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetyl]-N-{[(1r,4r)-4-aminocyclohexyl]methyl}pyrrolidine-2-carboxamide
Other name (1)：
  • N-[(4α-Aminocyclohexan-1β-yl)methyl]-1-[(βS)-β,4-dihydroxy-3-methoxy-α-oxophenethyl]-L-prolinamide
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