561

6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-YL}-1-BENZOFURAN-5-CARBOXYLIC ACID


Toggle HydrogenToggle Labels

Chemical Component Summary

Name6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)-4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4-YL}-1-BENZOFURAN-5-CARBOXYLIC ACID
Identifiers6-hydroxy-3-[(1S,4R)-1-[4-(naphthalen-1-ylamino)-4-oxo-butyl]-1,2,3-triazolidin-4-yl]-1-benzofuran-5-carboxylic acid
FormulaC25 H24 N4 O5
Molecular Weight460.482
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)cccc2NC(=O)CCC[N@]3C[C@H](NN3)c4coc5c4cc(c(c5)O)C(=O)O
InChIInChI=1S/C25H24N4O5/c30-22-12-23-17(11-18(22)25(32)33)19(14-34-23)21-13-29(28-27-21)10-4-9-24(31)26-20-8-3-6-15-5-1-2-7-16(15)20/h1-3,5-8,11-12,14,21,27-28,30H,4,9-10,13H2,(H,26,31)(H,32,33)/t21-/m0/s1
InChIKeyKWXBSQWOCREJEL-NRFANRHFSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count1
Bond Count62
Aromatic Bond Count21

Related Resource References

Resource NameReference
PubChem 17754241