Chemical Compound

J1.662.450K

J1.662.450K chemical structure
Primary Record

J1.662.450K

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177407236
SMILES
CCC1[C@@H]([C@@H](/C=C(/C=C(\C(=O)OC([C@H](/C=C\C=C(\C[C@H]([C@@H]1OC(=O)C2=CC=C(C=C2)C3(N=N3)C(F)(F)F)C)/C)OC)[C@@H](C)[C@H]([C@H](C)[C@H]4C[C@H]([C@@H]([C@H](O4)/C=C/C)C)[125I])O)/OC)\C)C)O
Canonical SMILES
C/C=C/[C@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C2OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)C(CC)[C@@H](OC(=O)c3ccc(C4(C(F)(F)F)N=N4)cc3)[C@H](C)C/C(C)=C/C=C\[C@@H]2OC)C[C@@H]([125I])[C@@H]1C

Names & Synonyms

  • J1.662.450K
  • (7R,8R,9R,10S,11R,17S,18R)-9-ethyl-8-hydroxy-18-[(2S,3S,4S)-3-hydroxy-4-[(2R,4R,5R,6R)-4-(125I)iodo-5-methyl-6-(prop-1-en-1-yl)oxan-2-yl]pentan-2-yl]-3,17-dimethoxy-5,7,11,13-tetramethyl-2-oxo-1-oxacyclooctadeca-3,5,13,15-tetraen-10-yl 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate
  • 23-(125I)Iodo-9-O-[4-[3-(trifluoromethyl)-3H-diazirine-3-yl]benzoyl]-21-deoxy-23-de[(4-O-aminocarbonyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy]concanamycin A
  • 9-[4-[3-(Trifluoromethyl)-3H-diazirine-3-yl]benzoyloxy]-23-(125I)iodo-23-de(4-O-carbamoyl-2,6-dideoxy-beta-D-glucopyranosyloxy)-9,21-dideoxyconcanamycin A
  • 9-O-[4-[3-(Trifluoromethyl)-3H-diazirine-3-yl]benzoyl]-21-deoxy-23-(125I)iodo-23-de(4-O-aminocarbonyl-2,6-dideoxy-beta-D-arabino-hexopyranosyloxy)concanamycin A