Chem
J-GLOBAL ID：200907007465070026   Nikkaji number：J2.110.143E

Tris[2-(3-β-D-glucopyranosylureido)ethyl]amine

トリス[2-(3-β-D-グルコピラノシルウレイド)エチル]アミン
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： C27H51N7O18
Molecular formula furigana： C27-H51-N7-O18
Molecular weight： 761.736
InChI： InChI=1S/C27H51N7O18/c35-7-10-13(38)16(41)19(44)22(50-10)31-25(47)28-1-4-34(5-2-29-26(48)32-23-20(45)17(42)14(39)11(8-36)51-23)6-3-30-27(49)33-24-21(46)18(43)15(40)12(9-37)52-24/h10-24,35-46H,1-9H2,(H2,28,31,47)(H2,29,32,48)(H2,30,33,49)/t10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20-,21-,22-,23-,24-/m1/s1
InChI key： CFJTVYINCYGATE-LTCRKWBUSA-N
SMILES： OC[C@H]1O[C@@H](NC(=O)NCCN(CCNC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCNC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • トリス[2-(3-β-D-グルコピラノシルウレイド)エチル]アミン
  • 1-(2-{ビス[2-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]カルバモイル}アミノ)エチル]アミノ}エチル)-3-[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]尿素
  • 1-(2-{bis[2-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}amino)ethyl]amino}ethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
Other name (1)：
  • Tris[2-(3-β-D-glucopyranosylureido)ethyl]amine
Thsaurus map：
Thesaurus Map

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