Chem
J-GLOBAL ID：200907074104204167   Nikkaji number：J1.186.356F

(2R,3R,4R,5R)-2,5-Bis[4-(3-pyridyl)benzyloxy]-3,4-dihydroxy-N,N′-bis[(S)-1-(methylcarbamoyl)-2-methylpropyl]adipamide

(2R,3R,4R,5R)-2,5-ビス[4-(3-ピリジル)ベンジルオキシ]-3,4-ジヒドロキシ-N,N′-ビス[(S)-1-(メチルカルバモイル)-2-メチルプロピル]アジポアミド
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： C42H52N6O8
Molecular formula furigana： C42-H52-N6-O8
Molecular weight： 768.912
InChI： InChI=1S/C42H52N6O8/c1-25(2)33(39(51)43-5)47-41(53)37(55-23-27-11-15-29(16-12-27)31-9-7-19-45-21-31)35(49)36(50)38(42(54)48-34(26(3)4)40(52)44-6)56-24-28-13-17-30(18-14-28)32-10-8-20-46-22-32/h7-22,25-26,33-38,49-50H,23-24H2,1-6H3,(H,43,51)(H,44,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
InChI key： FOBRXMROTNVGST-CXPJILFNSA-N
SMILES： CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)c1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)c1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
Systematic name  (3)：
  • (2R,3R,4R,5R)-2,5-ビス[4-(3-ピリジル)ベンジルオキシ]-3,4-ジヒドロキシ-N,N′-ビス[(S)-1-(メチルカルバモイル)-2-メチルプロピル]アジポアミド
  • (2R,3R,4R,5R)-3,4-ジヒドロキシ-N,N'-ビス[(1S)-2-メチル-1-(メチルカルバモイル)プロピル]-2,5-ビス({[4-(ピリジン-3-イル)フェニル]メトキシ})ヘキサンジアミド
  • (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(pyridin-3-yl)phenyl]methoxy})hexanediamide
Other name (1)：
  • (2R,3R,4R,5R)-2,5-Bis[4-(3-pyridyl)benzyloxy]-3,4-dihydroxy-N,N′-bis[(S)-1-(methylcarbamoyl)-2-methylpropyl]adipamide
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