Chemical Compound

CHEMBL5751178

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CHEMBL5751178 chemical structure
Primary Record

CHEMBL5751178

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
89921717
SMILES
C[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3CC(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@@H]6C[C@@H]6[C@H]5CCCCCC7=NC8=C(C=C(C=C8)OC)N=C7O2)C(C)(C)C
Canonical SMILES
COc1ccc2nc3c(nc2c1)O[C@H]1CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]2C[C@@H]4C[C@@H]4[C@H]2CCCCC3)[C@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2CC(F)F)[C@@H]1C

Names & Synonyms

  • CHEMBL5751178
  • SCHEMBL15412714
  • US10335409, Example 58
  • SJAXNVYRUUHTPN-ISIHCLBZSA-N
  • BDBM403648
  • (1aS,2aR,6S,9S,10S,11R,23aR,23bS)-6-tert-butyl-N-[(1R,2S)-2-(2,2-difluoroethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-15-methoxy-10-methyl-4,7-dioxo-1a,2,2a,4,5,6,7,10,11,19,20,21,22,23,23a,23b-hexadecahydro-1H,9H-8,11-methanocyclopropa[4',5']cyclopenta[1',2':18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-9-carboxamide