Chem
J-GLOBAL ID：200907023216759222   Nikkaji number：J2.297.554D

3-Amino-6-[(R)-13-hydroxy-13-[(2R,2′R,5R,5′R)-5′-[(1S,5S)-1,5-dihydroxyundecyl]octahydro-2,2′-bifuran-5-yl]tridecyl]-1,2,4-triazine-5(4H)-one

3-アミノ-6-[(R)-13-ヒドロキシ-13-[(2R,2′R,5R,5′R)-5′-[(1S,5S)-1,5-ジヒドロキシウンデシル]オクタヒドロ-2,2′-ビフラン-5-イル]トリデシル]-1,2,4-トリアジン-5(4H)-オン
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： C35H64N4O6
Molecular formula furigana： C35-H64-N4-O6
Molecular weight： 636.919
InChI： InChI=1S/C35H64N4O6/c1-2-3-4-13-17-26(40)18-16-21-29(42)31-23-25-33(45-31)32-24-22-30(44-32)28(41)20-15-12-10-8-6-5-7-9-11-14-19-27-34(43)37-35(36)39-38-27/h26,28-33,40-42H,2-25H2,1H3,(H3,36,37,39,43)/t26-,28+,29-,30+,31+,32+,33+/m0/s1
InChI key： DEDIEBBLHJUALY-MHGJHNSTSA-N
SMILES： CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCCc1nnc(N)[nH]c1=O
Systematic name  (3)：
  • 3-アミノ-6-[(R)-13-ヒドロキシ-13-[(2R,2′R,5R,5′R)-5′-[(1S,5S)-1,5-ジヒドロキシウンデシル]オクタヒドロ-2,2′-ビフラン-5-イル]トリデシル]-1,2,4-トリアジン-5(4H)-オン
  • 3-アミノ-6-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-ジヒドロキシウンデシル]-[2,2'-ビオキソラン]-5-イル]-13-ヒドロキシトリデシル]-4,5-ジヒドロ-1,2,4-トリアジン-5-オン
  • 3-amino-6-[(13R)-13-[(2R,2'R,5R,5'R)-5'-[(1S,5S)-1,5-dihydroxyundecyl]-[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl]-4,5-dihydro-1,2,4-triazin-5-one
Other name (1)：
  • 3-Amino-6-[(R)-13-hydroxy-13-[(2R,2′R,5R,5′R)-5′-[(1S,5S)-1,5-dihydroxyundecyl]octahydro-2,2′-bifuran-5-yl]tridecyl]-1,2,4-triazine-5(4H)-one
Thsaurus map：
Thesaurus Map

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