Products 3034202-16-6
CAS 3034202-16-6 is the registry number for BcI-2/BcI-xI ligand 1. Offered by: MedChemExpress. Available pack sizes: Get quote.
Tert-butyl 4-[(3R)-3-[4-[[(4aS)-3-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carbonyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazine-1-carboxylate (CAS 3034202-16-6) is a chemical compound with the molecular formula C53H64ClF3N6O8S3 and a molecular weight of 1101.8 g/mol. IUPAC name: tert-butyl 4-[(3R)-3-[4-[[(4aS)-3-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carbonyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazine-1-carboxylate. InChIKey: HEVWBISYKWQEGK-ZFESHMOZSA-N.
| Molecular formula | C53H64ClF3N6O8S3 |
|---|---|
| Molecular weight | 1101.8 g/mol |
| IUPAC name | tert-butyl 4-[(3R)-3-[4-[[(4aS)-3-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-8-carbonyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazine-1-carboxylate |
| InChIKey | HEVWBISYKWQEGK-ZFESHMOZSA-N |
| SMILES | CC1(CCC(=C(C1)CN2CCN3[C@@H](C2)COC4=C3C=CC(=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)N[C@H](CCN6CCN(CC6)C(=O)OC(C)(C)C)CSC7=CC=CC=C7)S(=O)(=O)C(F)(F)F)C8=CC=C(C=C8)Cl)C |
Computed by PubChem (NCBI)
Synonyms:
BcI-2/BcI-xI ligand 1, orb2564415