Chem
J-GLOBAL ID：200907068135550802   Nikkaji number：J1.186.352C

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

(2R,3R,4R,5R)-2,5-ビス[4-(3-チエニル)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： C40H50N4O8S2
Molecular formula furigana： C40-H50-N4-O8-S2
Molecular weight： 778.980
InChI： InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1
InChI key： AJZAPEZJWWQJHC-UWNKZCSISA-N
SMILES： CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)c1ccsc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)c1ccsc1)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-チエニル)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-(チオフェン-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-(thiophen-3-yl)phenyl]methoxy})hexanediamide
Other name (1)：
  • (2R,3R,4R,5R)-2,5-Bis[4-(3-thienyl)benzyloxy]-3,4-dihydroxy-N,N′-bis[(S)-1-(methylcarbamoyl)-2-methylpropyl]adipamide
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