Chemical Compound

Balanol Analog 42

Balanol Analog 42 chemical structure
Primary Record

Balanol Analog 42

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5327945
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC(=C(C(=C4)O)C(=O)C5=C(C=CC=C5O)C(=O)O)O
Canonical SMILES
Cc1ccc(S(=O)(=O)N2CCC[C@@H](OC(=O)c3cc(O)c(C(=O)c4c(O)cccc4C(=O)O)c(O)c3)[C@H](NC(=O)c3ccc(O)cc3)C2)cc1

Names & Synonyms

  • Balanol Analog 42
  • AC1NS3F2
  • BDBM3184
  • CHEMBL146846
  • CID5327945
  • J2.600.913H
  • 2-[2,6-dihydroxy-4-({[(3R,4R)-3-(4-hydroxybenzamido)-1-(4-methylbenzenesulfonyl)azepan-4-yl]oxy}carbonyl)benzoyl]-3-hydroxybenzoic acid
  • 2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-1-(4-methylphenyl)sulfonylazepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid
  • 2-[2,6-Dihydroxy-4-[[[(3R)-1-tosyl-3beta-[(4-hydroxybenzoyl)amino]hexahydro-1H-azepine-4alpha-yl]oxy]carbonyl]benzoyl]-3-hydroxybenzoic acid
  • 2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzene)amido]-1-[(4-methylbenzene)sulfonyl]azepan-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid