Chemical Compound

SCHEMBL21150228

SCHEMBL21150228 chemical structure
Primary Record

SCHEMBL21150228

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
139305746
SMILES
CC(C)(CC1=NN(C(=N1)C(F)F)C2=C(C=CC(=C2)[C@@H](COC(=O)NC3(CC3)C(F)(F)F)N4C(=O)[C@@](N=C4N)(CC(C)(C)F)C5=CC=C(C=C5)C6=NC=CN=C6)Cl)C[C@]7(C(=O)N(C(=N7)N)[C@H](COC(=O)NC8(CC8)C(F)(F)F)C9=CC(=C(C=C9)Cl)N1C(=NC=N1)C(F)F)C1=C(C=C(C=C1)C1=NC=NS1)F
Canonical SMILES
CC(C)(F)C[C@]1(c2ccc(-c3cnccn3)cc2)N=C(N)N([C@H](COC(=O)NC2(C(F)(F)F)CC2)c2ccc(Cl)c(-n3nc(CC(C)(C)C[C@]4(c5ccc(-c6ncns6)cc5F)N=C(N)N([C@H](COC(=O)NC5(C(F)(F)F)CC5)c5ccc(Cl)c(-n6ncnc6C(F)F)c5)C4=O)nc3C(F)F)c2)C1=O

Names & Synonyms

  • SCHEMBL21150228
  • AIIGJIWCCPBTIL-ZRXDOYQOSA-N
  • [(2S)-2-[(4R)-2-amino-4-[3-[1-[5-[(1S)-1-[(4R)-2-amino-4-(2-fluoro-2-methylpropyl)-5-oxo-4-(4-pyrazin-2-ylphenyl)imidazol-1-yl]-2-[[1-(trifluoromethyl)cyclopropyl]carbamoyloxy]ethyl]-2-chlorophenyl]-5-(difluoromethyl)-1,2,4-triazol-3-yl]-2,2-dimethylpropyl]-4-[2-fluoro-4-(1,2,4-thiadiazol-5-yl)phenyl]-5-oxoimidazol-1-yl]-2-[4-chloro-3-[5-(difluoromethyl)-1,2,4-triazol-1-yl]phenyl]ethyl] N-[1-(trifluoromethyl)cyclopropyl]carbamate