Chemical Component Summary

NameN-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine
Identifiers(E)-N-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
FormulaC18 H25 N O6
Molecular Weight351.394
TypeSACCHARIDE
Isomeric SMILESCC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIInChI=1S/C18H25NO6/c1-10(2)12-6-3-11(4-7-12)5-8-14(21)19-18-17(24)16(23)15(22)13(9-20)25-18/h3-8,10,13,15-18,20,22-24H,9H2,1-2H3,(H,19,21)/b8-5+/t13-,15-,16+,17-,18-/m1/s1
InChIKeyOPYZIUIJGFRFFX-AWRGUQPNSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count5
Bond Count51
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 101902451
ChEMBL CHEMBL3322337