Products 2688785-30-8

CAS 2688785-30-8 is the registry number for Glucocorticoid receptor modulator 4. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]-4-fluorobenzoate (CAS 2688785-30-8) is a chemical compound with the molecular formula C37H43BrF3N3O8S and a molecular weight of 826.7 g/mol. IUPAC name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]-4-fluorobenzoate. InChIKey: HKHYQOPSMOVKQU-JEWLRZHTSA-N.

Identity
Molecular formulaC37H43BrF3N3O8S
Molecular weight826.7 g/mol
IUPAC name[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]-4-fluorobenzoate
InChIKeyHKHYQOPSMOVKQU-JEWLRZHTSA-N
SMILESC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C5=CC(=C(C=C5)F)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CBr)C)O)F)C

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